1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-ethanoylphenoxy)butan-1-one

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-ethanoylphenoxy)butan-1-one Openeye Name: 4-(4-acetylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-acetylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-acetylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-acetylphenoxy)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]butan-1-one Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C24H30N2O5S/c1-18-6-7-19(2)23(17-18)32(29,30)26-14-12-25(13-15-26)24(28)5-4-16-31-22-10-8-21(9-11-22)20(3)27/h6-11,17H,4-5,12-16H2,1-3H3