4-methyl-3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[2-(phenylthio)ethyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-[2-(phenylthio)ethyl]benzenesulfonamide Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O4S2/c1-12-7-8-14(11-15(12)17(18)19)23(20,21)16-9-10-22-13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3