N-[3-(azepan-1-ium-1-yl)propyl]-2-[methylsulfonyl(phenyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[methylsulfonyl(phenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(N-methylsulfonylanilino)acetamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-(N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(N-mesylanilino)acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C18H29N3O3S/c1-25(23,24)21(17-10-5-4-6-11-17)16-18(22)19-12-9-15-20-13-7-2-3-8-14-20/h4-6,10-11H,2-3,7-9,12-16H2,1H3,(H,19,22)/p+1