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

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(m-tolylmethylsulfanyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[(3-methylphenyl)methylthio]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[(3-methylbenzyl)thio]ethyl]-4-nitro-benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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