N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-phenyl-acetamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c22-18(19-16-7-3-1-4-8-16)15-20-11-13-21(14-12-20)25(23,24)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,19,22)/p+1