[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H25N5O8S MolecularWeight: 459.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O8S/c1-11(2)8-18-17(25)20-15(23)10-30-16(24)9-19-31(28,29)12-5-6-13(21(3)4)14(7-12)22(26)27/h5-7,11,19H,8-10H2,1-4H3,(H2,18,20,23,25)