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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-nitro-benzenesulfonamide Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S2/c17-11-13-3-1-2-4-14(13)12-24-10-9-18-25(22,23)16-7-5-15(6-8-16)19(20)21/h1-8,18H,9-10,12H2