3-(4-tert-butylphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-tert-butylphenyl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(4-tert-butylphenyl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-tert-butylphenyl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(4-tert-butylphenyl)propan-1-one Formula: C23H30N2O3S MolecularWeight: 414.5609

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-23(2,3)20-12-9-19(10-13-20)11-14-22(26)24-15-17-25(18-16-24)29(27,28)21-7-5-4-6-8-21/h4-10,12-13H,11,14-18H2,1-3H3