3-methyl-4-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[3-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(3-piperidinosulfonylbenzoyl)amino]benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22N2O5S/c1-14-12-16(20(24)25)8-9-18(14)21-19(23)15-6-5-7-17(13-15)28(26,27)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)(H,24,25)