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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H26FN4O3S+ MolecularWeight: 409.498143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H25FN4O3S/c20-16-4-6-17(7-5-16)28(26,27)24-11-3-10-23(12-13-24)14-18(25)22-19(15-21)8-1-2-9-19/h4-7H,1-3,8-14H2,(H,22,25)/p+1