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

Systemtic Name: N-tert-butyl-3-(furan-3-ylmethylamino)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide Openeye Name: N-tert-butyl-3-(3-furylmethylamino)-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-tert-butyl-3-(3-furanylmethylamino)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-(furan-3-ylmethylamino)-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-tert-butyl-3-(3-furfurylamino)-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=COC=C2)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=COC=C2)C(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C22H32N4O4S/c1-22(2,3)24-31(28,29)20-13-18(21(27)26-8-5-7-25(4)9-10-26)12-19(14-20)23-15-17-6-11-30-16-17/h6,11-14,16,23-24H,5,7-10,15H2,1-4H3/p+1