N-(3-cyanothiophen-2-yl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-cyano-2-thienyl)propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-cyano-2-thienyl)propionamide Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3S2/c20-14-17-7-13-27-19(17)21-18(24)6-8-22-9-11-23(12-10-22)28(25,26)15-16-4-2-1-3-5-16/h1-5,7,13H,6,8-12,15H2,(H,21,24)/p+1