2-[4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-ethylacetamide IUPAC Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-ethyl-acetamide Formula: C19H32N3O5S+ MolecularWeight: 414.53948

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)OCC

Isomeric SMILES

CCNC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)OCC

InChI

InChI=1S/C19H31N3O5S/c1-4-20-19(23)15-21-10-7-11-22(13-12-21)28(24,25)16-8-9-17(26-5-2)18(14-16)27-6-3/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,20,23)/p+1