4-(4-tert-butylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-tert-butylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-tert-butylphenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-tert-butylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-tert-butylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-tert-butylphenoxy)-1-(4-tosylpiperazino)butan-1-one Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4S/c1-20-7-13-23(14-8-20)32(29,30)27-17-15-26(16-18-27)24(28)6-5-19-31-22-11-9-21(10-12-22)25(2,3)4/h7-14H,5-6,15-19H2,1-4H3