2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-dimethyl-ammonium Formula: C17H28N3O3S+ MolecularWeight: 354.48752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H27N3O3S/c1-19(2)14-11-18-17(21)15-7-9-16(10-8-15)24(22,23)20-12-5-3-4-6-13-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21)/p+1