N-(3-cyanothiophen-2-yl)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-(4-besylpiperazin-1-ium-1-yl)-N-(3-cyano-2-thienyl)propionamide Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3S2/c19-14-15-7-13-26-18(15)20-17(23)6-8-21-9-11-22(12-10-21)27(24,25)16-4-2-1-3-5-16/h1-5,7,13H,6,8-12H2,(H,20,23)/p+1