[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C24H27N3O5S/c1-16-11-12-20(33(30,31)27-13-7-6-8-17(27)2)14-21(16)24(29)32-18(3)23(28)26-22-10-5-4-9-19(22)15-25/h4-5,9-12,14,17-18H,6-8,13H2,1-3H3,(H,26,28)