[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CCC#N)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CCC#N)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H23N3O6S/c1-14-4-5-15(18(23)27-13-17(22)20(2)7-3-6-19)12-16(14)28(24,25)21-8-10-26-11-9-21/h4-5,12H,3,7-11,13H2,1-2H3