1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(3-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(3-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(3-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[3-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(3-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(3-pyrrolidinophenyl)propyl]-3-methyl-phenyl]sulfonylproline Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)O)C(CCC3=CC(=CC=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)O)C(CCC3=CC(=CC=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C26H32N2O6S/c1-18-16-21(35(33,34)28-15-5-8-24(28)26(31)32)10-12-22(18)23(25(29)30)11-9-19-6-4-7-20(17-19)27-13-2-3-14-27/h4,6-7,10,12,16-17,23-24H,2-3,5,8-9,11,13-15H2,1H3,(H,29,30)(H,31,32)