4-(4-methylphenyl)-2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-phenyl]butanoic acid

Systemtic Name: 4-(4-methylphenyl)-2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-phenyl]butanoic acid Openeye Name: 2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-phenyl]-4-(p-tolyl)butanoic acid CAS Name: 2-[2-methyl-4-[[2-[oxo-[2-(1-piperazinyl)ethoxy]methyl]-1-pyrrolidinyl]sulfonyl]phenyl]-4-(4-methylphenyl)butanoic acid IUPAC Name: 4-(4-methylphenyl)-2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonylphenyl]butanoic acid Traditional Name: 2-[2-methyl-4-[2-(2-piperazinoethoxycarbonyl)pyrrolidino]sulfonyl-phenyl]-4-(p-tolyl)butyric acid Formula: C29H39N3O6S MolecularWeight: 557.70146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)OCCN4CCNCC4)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)OCCN4CCNCC4)C)C(=O)O

InChI

InChI=1S/C29H39N3O6S/c1-21-5-7-23(8-6-21)9-11-26(28(33)34)25-12-10-24(20-22(25)2)39(36,37)32-15-3-4-27(32)29(35)38-19-18-31-16-13-30-14-17-31/h5-8,10,12,20,26-27,30H,3-4,9,11,13-19H2,1-2H3,(H,33,34)