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

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-5-[(3-methylphenyl)methylamino]benzenesulfonamide Openeye Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-(m-tolylmethylamino)benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-5-[(3-methylphenyl)methylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[(3-methylphenyl)methylamino]benzenesulfonamide Traditional Name: N-tert-butyl-3-[(3-methylbenzyl)amino]-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)benzenesulfonamide Formula: C25H37N4O3S+ MolecularWeight: 473.65128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O3S/c1-19-8-6-9-20(14-19)18-26-22-15-21(24(30)29-11-7-10-28(5)12-13-29)16-23(17-22)33(31,32)27-25(2,3)4/h6,8-9,14-17,26-27H,7,10-13,18H2,1-5H3/p+1