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

Systemtic Name: ethyl 4-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[(3-tert-butyl-1-phenyl-4-pyrazolyl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O4S/c1-5-28-19(25)22-11-13-23(14-12-22)29(26,27)17-15-24(16-9-7-6-8-10-16)21-18(17)20(2,3)4/h6-10,15H,5,11-14H2,1-4H3