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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H24ClN3O5S/c24-20-11-10-18(16-21(20)33(30,31)26-13-5-2-6-14-26)23(29)32-17-22(28)27(15-7-12-25)19-8-3-1-4-9-19/h1,3-4,8-11,16H,2,5-7,13-15,17H2