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

Systemtic Name: 4-[[3-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid Traditional Name: 4-[[3-(4-methylpiperidino)sulfonylbenzoyl]amino]benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-14-9-11-22(12-10-14)28(26,27)18-4-2-3-16(13-18)19(23)21-17-7-5-15(6-8-17)20(24)25/h2-8,13-14H,9-12H2,1H3,(H,21,23)(H,24,25)