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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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