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

Systemtic Name: N-[(phenylmethyl)carbamoyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(benzylcarbamoyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(benzylcarbamoyl)acetamide Traditional Name: N-(benzylcarbamoyl)-2-(4-besylpiperazin-1-ium-1-yl)acetamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c25-19(22-20(26)21-15-17-7-3-1-4-8-17)16-23-11-13-24(14-12-23)29(27,28)18-9-5-2-6-10-18/h1-10H,11-16H2,(H2,21,22,25,26)/p+1