4-[4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxopropyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C22H34N6O4S MolecularWeight: 478.60816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C22H34N6O4S/c1-15(2)13-28-17(4)19(16(3)24-28)6-7-21(29)26-8-10-27(11-9-26)33(31,32)18-12-20(22(23)30)25(5)14-18/h12,14-15H,6-11,13H2,1-5H3,(H2,23,30)