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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S2/c1-13-6-7-16(10-17(13)20(21)22)26(23,24)19-8-9-25-12-15-5-3-2-4-14(15)11-18/h2-7,10,19H,8-9,12H2,1H3