N-[2-[6-(4-cyanobutyl)pyridin-2-yl]ethyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[2-[6-(4-cyanobutyl)pyridin-2-yl]ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-[6-(4-cyanobutyl)-2-pyridyl]ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[6-(4-cyanobutyl)-2-pyridinyl]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-[6-(4-cyanobutyl)pyridin-2-yl]ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-[6-(4-cyanobutyl)-2-pyridyl]ethyl]-2-nitro-benzenesulfonamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC=CC(=N2)CCCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC=CC(=N2)CCCCC#N

InChI

InChI=1S/C18H20N4O4S/c19-13-5-1-2-7-15-8-6-9-16(21-15)12-14-20-27(25,26)18-11-4-3-10-17(18)22(23)24/h3-4,6,8-11,20H,1-2,5,7,12,14H2