[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] cyclobutanecarboxylate

Systemtic Name: [2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[4-chloro-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-[4-chloro-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-(4-chloro-3-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC(=O)C3CCC3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC(=O)C3CCC3)Cl

InChI

InChI=1S/C18H23ClN2O5S/c19-15-8-7-14(20-17(22)12-26-18(23)13-5-4-6-13)11-16(15)27(24,25)21-9-2-1-3-10-21/h7-8,11,13H,1-6,9-10,12H2,(H,20,22)