ethyl 5-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate CAS Name: 5-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Traditional Name: 5-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C17H21ClN4O4S/c1-3-26-17(23)14-11-16(20-19-14)27(24,25)22-8-6-21(7-9-22)15-10-13(18)5-4-12(15)2/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20)