3-(3-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-methoxyphenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-methoxyphenyl)-1-(4-tosylpiperazino)propan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26N2O4S/c1-17-6-9-20(10-7-17)28(25,26)23-14-12-22(13-15-23)21(24)11-8-18-4-3-5-19(16-18)27-2/h3-7,9-10,16H,8,11-15H2,1-2H3