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

Systemtic Name: 4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[methyl-[[4-(methylthio)phenyl]methyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[methyl-[4-(methylthio)benzyl]amino]-3-nitro-benzenesulfonamide Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S2/c1-17(10-11-3-5-12(23-2)6-4-11)14-8-7-13(24(16,21)22)9-15(14)18(19)20/h3-9H,10H2,1-2H3,(H2,16,21,22)