4-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(m-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-[(3-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(3-methylbenzyl)sulfonylisonipecotoyl]amino]benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-15-3-2-4-16(13-15)14-29(27,28)23-11-9-17(10-12-23)20(24)22-19-7-5-18(6-8-19)21(25)26/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)(H,25,26)