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

Systemtic Name: ethyl 4-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4S/c1-2-31-23(28)25-13-15-27(16-14-25)32(29,30)21-18-26(17-19-9-5-3-6-10-19)24-22(21)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3