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

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C21H19N3O7S2 MolecularWeight: 489.52146

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7S2/c1-32-19-10-9-15(11-18(19)24(27)28)33(29,30)22-12-21(26)31-13-20(25)23-17-8-4-6-14-5-2-3-7-16(14)17/h2-11,22H,12-13H2,1H3,(H,23,25)