3-(1-benzofuran-2-ylmethylamino)-N-tert-butyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide

Systemtic Name: 3-(1-benzofuran-2-ylmethylamino)-N-tert-butyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide Openeye Name: 3-(benzofuran-2-ylmethylamino)-N-tert-butyl-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide CAS Name: 3-(2-benzofuranylmethylamino)-N-tert-butyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: 3-(1-benzofuran-2-ylmethylamino)-N-tert-butyl-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: 3-(benzofuran-2-ylmethylamino)-N-tert-butyl-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC3=CC=CC=C3O2)C(=O)N4CCC[NH+](CC4)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC3=CC=CC=C3O2)C(=O)N4CCC[NH+](CC4)C

InChI

InChI=1S/C26H34N4O4S/c1-26(2,3)28-35(32,33)23-16-20(25(31)30-11-7-10-29(4)12-13-30)14-21(17-23)27-18-22-15-19-8-5-6-9-24(19)34-22/h5-6,8-9,14-17,27-28H,7,10-13,18H2,1-4H3/p+1