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

Systemtic Name: N-tert-butyl-3-(3-methylbutylamino)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]benzenesulfonamide Openeye Name: N-tert-butyl-3-(isopentylamino)-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-tert-butyl-3-(3-methylbutylamino)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-(3-methylbutylamino)-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-tert-butyl-3-(isoamylamino)-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Formula: C22H39N4O3S+ MolecularWeight: 439.63506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CC(=CC(=C1)C(=O)N2CCC[NH+](CC2)C)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC(C)CCNC1=CC(=CC(=C1)C(=O)N2CCC[NH+](CC2)C)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C22H38N4O3S/c1-17(2)8-9-23-19-14-18(21(27)26-11-7-10-25(6)12-13-26)15-20(16-19)30(28,29)24-22(3,4)5/h14-17,23-24H,7-13H2,1-6H3/p+1