3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]propyl-diethylazanium Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]propyl-diethyl-ammonium Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-3-22(4-2)14-10-13-21-20(24)18-11-9-12-19(17-18)27(25,26)23-15-7-5-6-8-16-23/h9,11-12,17H,3-8,10,13-16H2,1-2H3,(H,21,24)/p+1