1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c28-23(12-11-21-17-24-27(18-21)22-9-5-2-6-10-22)25-13-15-26(16-14-25)31(29,30)19-20-7-3-1-4-8-20/h1-10,17-18H,11-16,19H2