N-methyl-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[methyl-[[4-(methylthio)phenyl]methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[methyl-[4-(methylthio)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S2/c1-17-25(22,23)14-8-9-15(16(10-14)19(20)21)18(2)11-12-4-6-13(24-3)7-5-12/h4-10,17H,11H2,1-3H3