[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H24ClN3O5S/c1-15-6-7-17(12-21(15)33(30,31)27-10-4-3-5-11-27)23(29)32-16(2)22(28)26-19-9-8-18(14-25)20(24)13-19/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,26,28)