2-[4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[2-(aminomethyl)-1-pyrrolidinyl]sulfonyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[2-(aminomethyl)pyrrolidino]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2CN)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2CN)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C26H35N3O4S/c1-19-17-23(34(32,33)29-16-4-5-22(29)18-27)11-13-24(19)25(26(30)31)12-8-20-6-9-21(10-7-20)28-14-2-3-15-28/h6-7,9-11,13,17,22,25H,2-5,8,12,14-16,18,27H2,1H3,(H,30,31)