4-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[3-(3,5-dimethylpiperidino)sulfonylbenzoyl]amino]-3-methyl-benzoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

InChI

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