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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C21H24N2O5S/c1-14-8-10-23(11-9-14)29(27,28)19-13-16(7-6-15(19)2)20(24)22-18-5-3-4-17(12-18)21(25)26/h3-7,12-14H,8-11H2,1-2H3,(H,22,24)(H,25,26)