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

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

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