1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-(4-methoxyphenyl)propan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-17-4-5-18(2)21(16-17)29(26,27)24-14-12-23(13-15-24)22(25)11-8-19-6-9-20(28-3)10-7-19/h4-7,9-10,16H,8,11-15H2,1-3H3