[2-(butylamino)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-2-3-11-20-18(23)13-29-19(24)16-9-4-5-10-17(16)21-30(27,28)15-8-6-7-14(12-15)22(25)26/h4-10,12,21H,2-3,11,13H2,1H3,(H,20,23)