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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OCC(=O)NCCC#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OCC(=O)NCCC#N)S(=O)(=O)C

InChI

InChI=1S/C15H19N3O5S/c1-12-6-3-4-7-13(12)18(24(2,21)22)10-15(20)23-11-14(19)17-9-5-8-16/h3-4,6-7H,5,9-11H2,1-2H3,(H,17,19)