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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H17N3O8S MolecularWeight: 435.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O8S/c1-30(27,28)15-8-7-13(9-14(15)21(25)26)17(23)29-11-16(22)20-18(24)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,19,20,22,24)