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

Systemtic Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-phenyl]butanoic acid Openeye Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-phenyl]butanoic acid CAS Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[[2-[oxo-[2-(1-piperazinyl)ethoxy]methyl]-1-pyrrolidinyl]sulfonyl]phenyl]butanoic acid IUPAC Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)pyrrolidin-1-yl]sulfonylphenyl]butanoic acid Traditional Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[2-(2-piperazinoethoxycarbonyl)pyrrolidino]sulfonyl-phenyl]butyric acid Formula: C29H39N3O7S MolecularWeight: 573.70086

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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)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O7S/c1-21-20-24(10-12-25(21)26(28(33)34)11-7-22-5-8-23(38-2)9-6-22)40(36,37)32-15-3-4-27(32)29(35)39-19-18-31-16-13-30-14-17-31/h5-6,8-10,12,20,26-27,30H,3-4,7,11,13-19H2,1-2H3,(H,33,34)