ethyl 4-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O4S/c1-5-29-20(26)23-11-13-25(14-12-23)30(27,28)18-16-24(22-19(18)21(2,3)4)15-17-9-7-6-8-10-17/h6-10,16H,5,11-15H2,1-4H3