[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethyl)benzoate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethyl)benzoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C27H27ClN2O5S MolecularWeight: 527.03168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C27H27ClN2O5S/c28-24-14-13-22(36(33,34)30-15-7-2-8-16-30)18-25(24)29-26(31)19-35-27(32)23-12-6-5-11-21(23)17-20-9-3-1-4-10-20/h1,3-6,9-14,18H,2,7-8,15-17,19H2,(H,29,31)