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

Systemtic Name: N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzenesulfonamide CAS Name: N,4-dimethyl-N-[[4-(methylthio)phenyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: N,4-dimethyl-N-[4-(methylthio)benzyl]-3-nitro-benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S2/c1-12-4-9-15(10-16(12)18(19)20)24(21,22)17(2)11-13-5-7-14(23-3)8-6-13/h4-10H,11H2,1-3H3