N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-4-nitro-benzenesulfonamide Openeye Name: 4-nitro-N-[2-(o-tolylmethylsulfanyl)ethyl]benzenesulfonamide CAS Name: N-[2-[(2-methylphenyl)methylthio]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[(2-methylbenzyl)thio]ethyl]-4-nitro-benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2/c1-13-4-2-3-5-14(13)12-23-11-10-17-24(21,22)16-8-6-15(7-9-16)18(19)20/h2-9,17H,10-12H2,1H3