3-methyl-4-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[4-(2-methylpiperidino)sulfonylbenzoyl]amino]benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-14-13-17(21(25)26)8-11-19(14)22-20(24)16-6-9-18(10-7-16)29(27,28)23-12-4-3-5-15(23)2/h6-11,13,15H,3-5,12H2,1-2H3,(H,22,24)(H,25,26)