1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-(4-methoxyphenoxy)-1-butanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-4-(4-methoxyphenoxy)butan-1-one Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H30N2O5S/c1-18-6-11-22(19(2)17-18)31(27,28)25-14-12-24(13-15-25)23(26)5-4-16-30-21-9-7-20(29-3)8-10-21/h6-11,17H,4-5,12-16H2,1-3H3