4-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-(4-tosylpiperazino)butan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-18-8-10-21(11-9-18)29(26,27)24-14-12-23(13-15-24)22(25)7-4-16-28-20-6-3-5-19(2)17-20/h3,5-6,8-11,17H,4,7,12-16H2,1-2H3