N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C20H17ClN2O4S2 MolecularWeight: 448.94298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN2O4S2/c1-14-6-11-17(12-19(14)23(24)25)29(26,27)22-18-4-2-3-5-20(18)28-13-15-7-9-16(21)10-8-15/h2-12,22H,13H2,1H3