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

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(2-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-(2-methylphenoxy)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)CCOC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC=C3C

InChI

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