[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S/c1-27(24,25)15-8-7-13(9-14(15)19(22)23)17(21)26-11-16(20)18-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,20)