2-(azepan-1-ium-1-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c24-20(17-22-13-5-1-2-6-14-22)21-18-9-11-19(12-10-18)27(25,26)23-15-7-3-4-8-16-23/h9-12H,1-8,13-17H2,(H,21,24)/p+1