ethyl 5-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(1-naphthylmethyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate CAS Name: 5-[[4-(1-naphthalenylmethyl)-1-piperazinyl]sulfonyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Traditional Name: 5-[4-(1-naphthylmethyl)piperazino]sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O4S/c1-2-29-21(26)19-14-22-23-20(19)30(27,28)25-12-10-24(11-13-25)15-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,14H,2,10-13,15H2,1H3,(H,22,23)