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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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