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

Systemtic Name: 4-chloranyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-methyl-N-[4-(methylthio)benzyl]-3-nitro-benzenesulfonamide Formula: C15H15ClN2O4S2 MolecularWeight: 386.8736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O4S2/c1-17(10-11-3-5-12(23-2)6-4-11)24(21,22)13-7-8-14(16)15(9-13)18(19)20/h3-9H,10H2,1-2H3