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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H24N2O5S/c1-14-4-3-11-23(13-14)29(27,28)18-8-5-16(6-9-18)20(24)22-19-10-7-17(21(25)26)12-15(19)2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,24)(H,25,26)