ethyl 4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O4S2/c1-2-29-21(26)23-10-12-25(13-11-23)31(27,28)19-16-24(15-17-7-4-3-5-8-17)22-20(19)18-9-6-14-30-18/h3-9,14,16H,2,10-13,15H2,1H3