2-[4-(azepan-1-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C17H35N4O3S+ MolecularWeight: 375.5498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H34N4O3S/c1-17(2,3)18-16(22)15-19-9-8-12-21(14-13-19)25(23,24)20-10-6-4-5-7-11-20/h4-15H2,1-3H3,(H,18,22)/p+1