N-(1-cyanocyclopentyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C20H28N4O3S/c1-17-5-7-18(8-6-17)28(26,27)24-12-4-11-23(13-14-24)15-19(25)22-20(16-21)9-2-3-10-20/h5-8H,2-4,9-15H2,1H3,(H,22,25)/p+1