2-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(5-bromo-2-ethoxy-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-(5-bromo-2-ethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-(5-bromo-2-ethoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(5-bromo-2-ethoxy-phenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C19H31BrN3O4S+ MolecularWeight: 477.43614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H30BrN3O4S/c1-5-27-16-8-7-15(20)13-17(16)28(25,26)23-10-6-9-22(11-12-23)14-18(24)21-19(2,3)4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,21,24)/p+1