N-[(2-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorobenzyl)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-17-7-9-19(10-8-17)29(27,28)25-12-4-11-24(13-14-25)16-21(26)23-15-18-5-2-3-6-20(18)22/h2-3,5-10H,4,11-16H2,1H3,(H,23,26)/p+1