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

Systemtic Name: 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitro-benzenesulfonamide Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4S2/c1-15-8-10-19(13-21(15)23(24)25)29(26,27)22-20-11-9-17(12-16(20)2)14-28-18-6-4-3-5-7-18/h3-13,22H,14H2,1-2H3