4-[4-(1-tert-butyl-5-cyclopropyl-pyrazol-3-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(1-tert-butyl-5-cyclopropyl-pyrazol-3-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(1-tert-butyl-5-cyclopropyl-pyrazole-3-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(1-tert-butyl-5-cyclopropyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(1-tert-butyl-5-cyclopropyl-pyrazole-3-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H30N6O4S MolecularWeight: 462.5657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)C4CC4

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)C4CC4

InChI

InChI=1S/C21H30N6O4S/c1-21(2,3)27-17(14-5-6-14)12-16(23-27)20(29)25-7-9-26(10-8-25)32(30,31)15-11-18(19(22)28)24(4)13-15/h11-14H,5-10H2,1-4H3,(H2,22,28)