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

Systemtic Name: 1-[3-methyl-4-[(Z)-1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)but-2-en-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[(Z)-1-carboxy-3-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[(Z)-1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]but-2-en-2-yl]-3-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(Z)-1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)but-2-en-2-yl]-3-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[(Z)-1-carboxy-3-(4-pyrrolidinophenyl)prop-1-enyl]-3-methyl-phenyl]sulfonylproline Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)O)/C(=C/CC3=CC=C(C=C3)N4CCCC4)/C(=O)O

InChI

InChI=1S/C26H30N2O6S/c1-18-17-21(35(33,34)28-16-4-5-24(28)26(31)32)11-13-22(18)23(25(29)30)12-8-19-6-9-20(10-7-19)27-14-2-3-15-27/h6-7,9-13,17,24H,2-5,8,14-16H2,1H3,(H,29,30)(H,31,32)/b23-12-