N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide Openeye Name: 1-(3-nitrophenyl)-N-[2-(o-tolylmethylsulfanyl)ethyl]methanesulfonamide CAS Name: N-[2-[(2-methylphenyl)methylthio]ethyl]-1-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-[(2-methylbenzyl)thio]ethyl]-1-(3-nitrophenyl)methanesulfonamide Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCNS(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSCCNS(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S2/c1-14-5-2-3-7-16(14)12-24-10-9-18-25(22,23)13-15-6-4-8-17(11-15)19(20)21/h2-8,11,18H,9-10,12-13H2,1H3