2-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[2-(m-tolylmethylsulfanyl)ethyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[2-[(3-methylphenyl)methylthio]ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[2-[(3-methylbenzyl)thio]ethyl]-5-nitro-benzenesulfonamide Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S2/c1-13-4-3-5-15(10-13)12-24-9-8-18-25(22,23)17-11-16(19(20)21)7-6-14(17)2/h3-7,10-11,18H,8-9,12H2,1-2H3