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

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitro-benzenesulfonamide Formula: C20H18N2O4S2 MolecularWeight: 414.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O4S2/c1-15-12-16(14-27-18-7-3-2-4-8-18)10-11-20(15)21-28(25,26)19-9-5-6-17(13-19)22(23)24/h2-13,21H,14H2,1H3