ethyl 4-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[(1-cyclopentyl-3-phenyl-4-pyrazolyl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C21H28N4O4S/c1-2-29-21(26)23-12-14-24(15-13-23)30(27,28)19-16-25(18-10-6-7-11-18)22-20(19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3