N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-5-[(6-methylpyridin-2-yl)methylamino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-5-[(6-methylpyridin-2-yl)methylamino]benzenesulfonamide Openeye Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[(6-methyl-2-pyridyl)methylamino]benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-5-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[(6-methylpyridin-2-yl)methylamino]benzenesulfonamide Traditional Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[(6-methyl-2-pyridyl)methylamino]benzenesulfonamide Formula: C24H36N5O3S+ MolecularWeight: 474.63934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CNC2=CC(=CC(=C2)C(=O)N3CCC[NH+](CC3)C)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC1=NC(=CC=C1)CNC2=CC(=CC(=C2)C(=O)N3CCC[NH+](CC3)C)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C24H35N5O3S/c1-18-8-6-9-20(26-18)17-25-21-14-19(23(30)29-11-7-10-28(5)12-13-29)15-22(16-21)33(31,32)27-24(2,3)4/h6,8-9,14-16,25,27H,7,10-13,17H2,1-5H3/p+1