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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-3-14(4-2)21-19(24)13-30-20(25)17-10-5-6-11-18(17)22-31(28,29)16-9-7-8-15(12-16)23(26)27/h5-12,14,22H,3-4,13H2,1-2H3,(H,21,24)