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

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-5-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide Openeye Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[(5-methyl-2-furyl)methylamino]benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-5-[(5-methyl-2-furanyl)methylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide Traditional Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[(5-methyl-2-furyl)methylamino]benzenesulfonamide Formula: C23H35N4O4S+ MolecularWeight: 463.6134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC2=CC(=CC(=C2)C(=O)N3CCC[NH+](CC3)C)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(O1)CNC2=CC(=CC(=C2)C(=O)N3CCC[NH+](CC3)C)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C23H34N4O4S/c1-17-7-8-20(31-17)16-24-19-13-18(22(28)27-10-6-9-26(5)11-12-27)14-21(15-19)32(29,30)25-23(2,3)4/h7-8,13-15,24-25H,6,9-12,16H2,1-5H3/p+1