1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-(4-pentoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-amoxyphenyl)-4-[4-(3,4-dimethylphenyl)sulfonylpiperazino]butane-1,4-dione Formula: C27H36N2O5S MolecularWeight: 500.65014

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O5S/c1-4-5-6-19-34-24-10-8-23(9-11-24)26(30)13-14-27(31)28-15-17-29(18-16-28)35(32,33)25-12-7-21(2)22(3)20-25/h7-12,20H,4-6,13-19H2,1-3H3