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

Systemtic Name: 3-(4-ethylphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one CAS Name: 3-(4-ethylphenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-3-(4-ethylphenyl)propan-1-one Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-2-19-8-10-20(11-9-19)12-13-22(25)23-14-16-24(17-15-23)28(26,27)18-21-6-4-3-5-7-21/h3-11H,2,12-18H2,1H3