4-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C16H21ClN6O4S MolecularWeight: 428.89374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)Cl)C

InChI

InChI=1S/C16H21ClN6O4S/c1-10-13(14(17)21(3)19-10)16(25)22-4-6-23(7-5-22)28(26,27)11-8-12(15(18)24)20(2)9-11/h8-9H,4-7H2,1-3H3,(H2,18,24)