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

Systemtic Name: 2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-[[2-[oxo-[2-(1-piperazinyl)ethoxy]methyl]-1-pyrrolidinyl]sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[2-methyl-4-[2-(2-piperazinoethoxycarbonyl)pyrrolidino]sulfonyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C32H44N4O6S MolecularWeight: 612.77996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)OCCN3CCNCC3)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)OCCN3CCNCC3)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C32H44N4O6S/c1-24-23-27(43(40,41)36-18-4-5-30(36)32(39)42-22-21-34-19-14-33-15-20-34)11-13-28(24)29(31(37)38)12-8-25-6-9-26(10-7-25)35-16-2-3-17-35/h6-7,9-11,13,23,29-30,33H,2-5,8,12,14-22H2,1H3,(H,37,38)