2-(4-chloranylpyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 2-(4-chloranylpyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 2-(4-chloropyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-(4-chloro-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 2-(4-chloropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 2-(4-chloropyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]butan-1-one Formula: C15H19ClN4O3S2 MolecularWeight: 402.91936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)N3C=C(C=N3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CS2)N3C=C(C=N3)Cl

InChI

InChI=1S/C15H19ClN4O3S2/c1-2-13(20-11-12(16)10-17-20)15(21)18-5-7-19(8-6-18)25(22,23)14-4-3-9-24-14/h3-4,9-11,13H,2,5-8H2,1H3