4-[4-(1-tert-butyl-5-methyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(1-tert-butyl-5-methyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(1-tert-butyl-5-methyl-pyrazole-4-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(1-tert-butyl-5-methyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(1-tert-butyl-5-methyl-pyrazole-4-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H28N6O4S MolecularWeight: 436.52842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=C(C=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C19H28N6O4S/c1-13-15(11-21-25(13)19(2,3)4)18(27)23-6-8-24(9-7-23)30(28,29)14-10-16(17(20)26)22(5)12-14/h10-12H,6-9H2,1-5H3,(H2,20,26)