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

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H17ClN2O4S2 MolecularWeight: 400.90018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN2O4S2/c1-12-5-6-15(10-16(12)19(20)21)25(22,23)18-7-8-24-11-13-3-2-4-14(17)9-13/h2-6,9-10,18H,7-8,11H2,1H3