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

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-5-(thiophen-2-ylmethylamino)benzenesulfonamide Openeye Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-(2-thienylmethylamino)benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-5-(thiophen-2-ylmethylamino)benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-(thiophen-2-ylmethylamino)benzenesulfonamide Traditional Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-(2-thenylamino)benzenesulfonamide Formula: C22H33N4O3S2+ MolecularWeight: 465.65242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC=CS2)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=CC(=C1)NCC2=CC=CS2)C(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C22H32N4O3S2/c1-22(2,3)24-31(28,29)20-14-17(21(27)26-9-6-8-25(4)10-11-26)13-18(15-20)23-16-19-7-5-12-30-19/h5,7,12-15,23-24H,6,8-11,16H2,1-4H3/p+1