2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]ethanoic acid; 4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl]piperazine-1-carboxamide

Systemtic Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]ethanoic acid; 4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl]piperazine-1-carboxamide Openeye Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid; 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)piperazine-1-carboxamide CAS Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid; 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-1-piperazinecarboxamide IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid; 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)piperazine-1-carboxamide Traditional Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid; 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)piperazine-1-carboxamide Formula: C40H43F34N9O16S2 MolecularWeight: 1615.895829

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)N)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C1CN(CCN1C(=O)N)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)N)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C1CN(CCN1C(=O)N)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C14H23N3O10.2C13H10F17N3O3S/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*14-6(15,8(18,19)10(22,23)12(26,27)28)7(16,17)9(20,21)11(24,25)13(29,30)37(35,36)33-3-1-32(2-4-33)5(31)34/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*1-4H2,(H2,31,34)