[1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-14(2)24(15(3)4)21(26)16(5)32-22(27)19-11-6-7-12-20(19)23-33(30,31)18-10-8-9-17(13-18)25(28)29/h6-16,23H,1-5H3