[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-14-7-8-17(11-15(14)2)29(26,27)22-12-18(24)28-16(3)19(25)23-20(13-21)9-5-4-6-10-20/h7-8,11,16,22H,4-6,9-10,12H2,1-3H3,(H,23,25)