3-(2-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(2-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C21H25ClN2O5S MolecularWeight: 452.9516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-28-17-8-9-19(29-2)20(15-17)30(26,27)24-13-11-23(12-14-24)21(25)10-7-16-5-3-4-6-18(16)22/h3-6,8-9,15H,7,10-14H2,1-2H3