[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(3-chloro-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-chloro-N-methylsulfonylanilino)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3-chloro-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-mesyl-anilino)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16ClN3O5S MolecularWeight: 373.81194

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)OCC(=O)NCCC#N)C1=CC(=CC=C1)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)OCC(=O)NCCC#N)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C14H16ClN3O5S/c1-24(21,22)18(12-5-2-4-11(15)8-12)9-14(20)23-10-13(19)17-7-3-6-16/h2,4-5,8H,3,7,9-10H2,1H3,(H,17,19)