N-[[6-(5-cyanopentyl)pyridin-2-yl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[6-(5-cyanopentyl)pyridin-2-yl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[6-(5-cyanopentyl)-2-pyridyl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[6-(5-cyanopentyl)-2-pyridinyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[6-(5-cyanopentyl)pyridin-2-yl]methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[[6-(5-cyanopentyl)-2-pyridyl]methyl]-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)NCC2=CC=CC(=N2)CCCCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=CC(=N2)CCCCCC#N

InChI

InChI=1S/C18H20N4O4S/c19-13-6-2-1-3-8-15-9-7-10-16(21-15)14-20-27(25,26)18-12-5-4-11-17(18)22(23)24/h4-5,7,9-12,20H,1-3,6,8,14H2