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

Systemtic Name: N-tert-butyl-2-[4-(4-ethanoylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H29N3O4S/c1-15(23)16-6-8-17(9-7-16)27(25,26)22-11-5-10-21(12-13-22)14-18(24)20-19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,24)/p+1