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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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