N-(2-cyclopentylpyrazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H26N5O3S2+ MolecularWeight: 424.56074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H25N5O3S2/c24-17(20-16-7-8-19-23(16)15-4-1-2-5-15)14-21-9-11-22(12-10-21)28(25,26)18-6-3-13-27-18/h3,6-8,13,15H,1-2,4-5,9-12,14H2,(H,20,24)/p+1