[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C16H18N2O5S/c1-16(10-17,11-7-8-11)18-14(19)9-23-15(20)12-5-3-4-6-13(12)24(2,21)22/h3-6,11H,7-9H2,1-2H3,(H,18,19)