[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H21N3O6S/c1-19(8-2-7-18)16(21)13-26-17(22)14-3-5-15(6-4-14)27(23,24)20-9-11-25-12-10-20/h3-6H,2,8-13H2,1H3