dimethyl-[2-[[4-[(2-methylsulfanylphenyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-[(2-methylsulfanylphenyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[4-(2-methylsulfanylanilino)-3-nitro-phenyl]sulfonylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[4-[2-(methylthio)anilino]-3-nitrophenyl]sulfonylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-(2-methylsulfanylanilino)-3-nitrophenyl]sulfonylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[4-[2-(methylthio)anilino]-3-nitro-phenyl]sulfonylamino]ethyl]ammonium Formula: C17H23N4O4S2+ MolecularWeight: 411.51892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2SC)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2SC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S2/c1-20(2)11-10-18-27(24,25)13-8-9-14(16(12-13)21(22)23)19-15-6-4-5-7-17(15)26-3/h4-9,12,18-19H,10-11H2,1-3H3/p+1