N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H23ClN5O3S2+ MolecularWeight: 481.01132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22ClN5O3S2/c21-17-14-25(13-16-5-2-1-3-6-16)23-20(17)22-18(27)15-24-8-10-26(11-9-24)31(28,29)19-7-4-12-30-19/h1-7,12,14H,8-11,13,15H2,(H,22,23,27)/p+1