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

Systemtic Name: 1-[3-methyl-4-[4-(2-methyl-4-pyrrolidin-1-yl-phenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(2-methyl-4-pyrrolidin-1-yl-phenyl)propyl]-3-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-4-[2-methyl-4-(1-pyrrolidinyl)phenyl]-1-oxobutan-2-yl]-3-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-4-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-oxobutan-2-yl]-3-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(2-methyl-4-pyrrolidino-phenyl)propyl]-3-methyl-phenyl]sulfonylproline Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)CCC(C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)CCC(C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O)C)C(=O)O

InChI

InChI=1S/C27H34N2O6S/c1-18-16-21(28-13-3-4-14-28)9-7-20(18)8-11-24(26(30)31)23-12-10-22(17-19(23)2)36(34,35)29-15-5-6-25(29)27(32)33/h7,9-10,12,16-17,24-25H,3-6,8,11,13-15H2,1-2H3,(H,30,31)(H,32,33)