3-chloranyl-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N,4-dimethyl-N-[[4-(methylthio)phenyl]methyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N,4-dimethyl-N-[4-(methylthio)benzyl]-5-nitro-benzenesulfonamide Formula: C16H17ClN2O4S2 MolecularWeight: 400.90018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O4S2/c1-11-15(17)8-14(9-16(11)19(20)21)25(22,23)18(2)10-12-4-6-13(24-3)7-5-12/h4-9H,10H2,1-3H3