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

Systemtic Name: 4-(4-chloranylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-chlorophenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chlorophenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chlorophenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-chlorophenoxy)-1-(4-tosylpiperazino)butan-1-one Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-17-4-10-20(11-5-17)29(26,27)24-14-12-23(13-15-24)21(25)3-2-16-28-19-8-6-18(22)7-9-19/h4-11H,2-3,12-16H2,1H3