[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O7S/c1-22-18-10-9-15(11-19(18)25(28)29)33(30,31)23-12-21(27)32-13-20(26)24-17-8-4-6-14-5-2-3-7-16(14)17/h2-11,22-23H,12-13H2,1H3,(H,24,26)