3-methyl-4-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[2-methyl-5-(2-methylpiperidino)sulfonyl-benzoyl]amino]benzoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C22H26N2O5S/c1-14-7-9-18(30(28,29)24-11-5-4-6-16(24)3)13-19(14)21(25)23-20-10-8-17(22(26)27)12-15(20)2/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,23,25)(H,26,27)