1-methyl-4-[4-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazol-5-yl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazol-5-yl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[[3-methyl-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carbonyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-(1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H28N6O4S2 MolecularWeight: 492.61482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)CC(C)C

InChI

InChI=1S/C21H28N6O4S2/c1-13(2)11-27-21-16(14(3)23-27)10-18(32-21)20(29)25-5-7-26(8-6-25)33(30,31)15-9-17(19(22)28)24(4)12-15/h9-10,12-13H,5-8,11H2,1-4H3,(H2,22,28)