[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H18N2O8S MolecularWeight: 470.45192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O8S/c25-21(23-14-16-5-2-1-3-6-16)15-31-22(26)17-9-11-19(12-10-17)32-33(29,30)20-8-4-7-18(13-20)24(27)28/h1-13H,14-15H2,(H,23,25)