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

Systemtic Name: 2-[4-[4-(carboxymethyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[4-(carboxymethyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[4-(carboxymethyl)-1-piperazinyl]sulfonyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[4-(carboxymethyl)piperazin-1-yl]sulfonyl-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[4-(carboxymethyl)piperazino]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)O)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC(=O)O)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C27H35N3O6S/c1-20-18-23(37(35,36)30-16-14-28(15-17-30)19-26(31)32)9-11-24(20)25(27(33)34)10-6-21-4-7-22(8-5-21)29-12-2-3-13-29/h4-5,7-9,11,18,25H,2-3,6,10,12-17,19H2,1H3,(H,31,32)(H,33,34)