[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfonylamino)benzoate

Systemtic Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfonylamino)benzoate Openeye Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl] 3-(methanesulfonamido)benzoate CAS Name: 3-(methanesulfonamido)benzoic acid [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 3-(methanesulfonamido)benzoate Traditional Name: 3-(methanesulfonamido)benzoic acid [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl] ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C16H19N3O5S/c1-16(10-17,12-6-7-12)18-14(20)9-24-15(21)11-4-3-5-13(8-11)19-25(2,22)23/h3-5,8,12,19H,6-7,9H2,1-2H3,(H,18,20)