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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-tert-butylphenyl)propan-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-tert-butylphenyl)propan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-3-(4-tert-butylphenyl)propan-1-one Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3S/c1-24(2,3)22-12-9-20(10-13-22)11-14-23(27)25-15-17-26(18-16-25)30(28,29)19-21-7-5-4-6-8-21/h4-10,12-13H,11,14-19H2,1-3H3