1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Openeye Name: 1-(4-pentoxyphenyl)-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-(4-pentoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-amoxyphenyl)-4-(4-tosylpiperazino)butane-1,4-dione Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H34N2O5S/c1-3-4-5-20-33-23-10-8-22(9-11-23)25(29)14-15-26(30)27-16-18-28(19-17-27)34(31,32)24-12-6-21(2)7-13-24/h6-13H,3-5,14-20H2,1-2H3