2-(2,3-dimethylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3-dimethylphenoxy)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2,3-dimethylphenoxy)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3-dimethylphenoxy)propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-(2,3-dimethylphenoxy)propan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-16-8-7-11-20(17(16)2)27-18(3)21(24)22-12-14-23(15-13-22)28(25,26)19-9-5-4-6-10-19/h4-11,18H,12-15H2,1-3H3