N-[(3-chlorophenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(3-chlorophenyl)methyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(3-chlorobenzyl)acetamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22ClN3O3S/c20-17-6-4-5-16(13-17)14-21-19(24)15-22-9-11-23(12-10-22)27(25,26)18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,21,24)/p+1