2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-propanoic acid; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxidanyl-propanoic acid; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-hydroxy-propanoic acid; 2-[[5-(dimethylamino)-1-naphthyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-hydroxypropanoic acid; 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoic acid; 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]acetic acid Traditional Name: 3-hydroxy-2-(naphthionylamino)propionic acid; 2-[methyl(naphthionyl)amino]acetic acid Formula: C30H36N4O9S2 MolecularWeight: 660.75824

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CO)C(=O)O.CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(C)CC(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CO)C(=O)O.CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(C)CC(=O)O

InChI

InChI=1S/C15H18N2O5S.C15H18N2O4S/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(21,22)16-12(9-18)15(19)20;1-16(2)13-8-4-7-12-11(13)6-5-9-14(12)22(20,21)17(3)10-15(18)19/h3-8,12,16,18H,9H2,1-2H3,(H,19,20);4-9H,10H2,1-3H3,(H,18,19)