N-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methyl-propan-2-amine; ethanedioic acid

Systemtic Name: N-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methyl-propan-2-amine; ethanedioic acid Openeye Name: N-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methyl-propan-2-amine; oxalic acid CAS Name: N-[3-[4-[(2-butyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-2-methyl-2-propanamine; oxalic acid IUPAC Name: N-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine; oxalic acid Traditional Name: tert-butyl-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]amine; oxalic acid Formula: C27H36N2O7S MolecularWeight: 532.64894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCNC(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCNC(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H34N2O3S.C2H2O4/c1-5-6-10-20-19-27-17-8-7-11-23(27)24(20)31(28,29)22-14-12-21(13-15-22)30-18-9-16-26-25(2,3)4;3-1(4)2(5)6/h7-8,11-15,17,19,26H,5-6,9-10,16,18H2,1-4H3;(H,3,4)(H,5,6)