N-tert-butyl-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H31N3O5S/c1-19(2,3)20-18(23)14-21-9-6-10-22(12-11-21)28(24,25)15-7-8-16(26-4)17(13-15)27-5/h7-8,13H,6,9-12,14H2,1-5H3,(H,20,23)/p+1