[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H29N3O6S/c1-16-6-7-18(14-19(16)32(28,29)25-10-12-30-13-11-25)21(27)31-17(2)20(26)24-22(15-23)8-4-3-5-9-22/h6-7,14,17H,3-5,8-13H2,1-2H3,(H,24,26)