4-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-3-methyl-benzoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C22H26N2O5S/c1-14-4-6-19(13-15(14)2)30(28,29)24-10-8-17(9-11-24)21(25)23-20-7-5-18(22(26)27)12-16(20)3/h4-7,12-13,17H,8-11H2,1-3H3,(H,23,25)(H,26,27)