[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)S(=O)(=O)NC2CC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)S(=O)(=O)NC2CC2

InChI

InChI=1S/C19H22N4O6S/c1-28-16-7-4-14(12-17(16)30(26,27)22-15-5-6-15)19(25)29-13-18(24)23(10-2-8-20)11-3-9-21/h4,7,12,15,22H,2-3,5-6,10-11,13H2,1H3