[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-phenyl-propanoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C24H28ClN3O6S MolecularWeight: 522.01362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O6S/c1-17(29)26-21(18-8-4-2-5-9-18)15-24(31)34-16-23(30)27-22-14-19(10-11-20(22)25)35(32,33)28-12-6-3-7-13-28/h2,4-5,8-11,14,21H,3,6-7,12-13,15-16H2,1H3,(H,26,29)(H,27,30)