2-[2-methyl-4-(3-methylpiperazin-1-yl)sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[2-methyl-4-(3-methylpiperazin-1-yl)sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[2-methyl-4-(3-methylpiperazin-1-yl)sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-[(3-methyl-1-piperazinyl)sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[2-methyl-4-(3-methylpiperazin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[2-methyl-4-(3-methylpiperazino)sulfonyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)S(=O)(=O)C2=CC(=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O)C

Isomeric SMILES

CC1CN(CCN1)S(=O)(=O)C2=CC(=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O)C

InChI

InChI=1S/C26H35N3O4S/c1-19-17-23(34(32,33)29-16-13-27-20(2)18-29)10-12-24(19)25(26(30)31)11-7-21-5-8-22(9-6-21)28-14-3-4-15-28/h5-6,8-10,12,17,20,25,27H,3-4,7,11,13-16,18H2,1-2H3,(H,30,31)