[1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylbutanoate

Systemtic Name: [1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylbutanoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C24H29ClN2O5S/c1-17(19-9-5-3-6-10-19)15-23(28)32-18(2)24(29)26-22-16-20(11-12-21(22)25)33(30,31)27-13-7-4-8-14-27/h3,5-6,9-12,16-18H,4,7-8,13-15H2,1-2H3,(H,26,29)