[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N3O6S/c1-30-20-10-9-18(32(28,29)25-11-3-2-4-12-25)13-19(20)24-21(26)15-31-22(27)17-7-5-16(14-23)6-8-17/h5-10,13H,2-4,11-12,15H2,1H3,(H,24,26)