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

Systemtic Name: ethyl 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate CAS Name: 5-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Traditional Name: 5-[3-methyl-4-(m-tolyl)piperazino]sulfonyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)S(=O)(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)S(=O)(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C18H24N4O4S/c1-4-26-18(23)16-11-17(20-19-16)27(24,25)21-8-9-22(14(3)12-21)15-7-5-6-13(2)10-15/h5-7,10-11,14H,4,8-9,12H2,1-3H3,(H,19,20)