N-(3-cyanothiophen-2-yl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C22H23N4O3S2+ MolecularWeight: 455.57302

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22N4O3S2/c23-16-19-8-14-30-22(19)24-21(27)7-9-25-10-12-26(13-11-25)31(28,29)20-6-5-17-3-1-2-4-18(17)15-20/h1-6,8,14-15H,7,9-13H2,(H,24,27)/p+1