1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone Openeye Name: 2-(4-benzyloxyphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(4-phenylmethoxyphenoxy)ethanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone Traditional Name: 2-(4-benzoxyphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C27H30N2O5S MolecularWeight: 494.6025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O5S/c1-21-8-13-26(18-22(21)2)35(31,32)29-16-14-28(15-17-29)27(30)20-34-25-11-9-24(10-12-25)33-19-23-6-4-3-5-7-23/h3-13,18H,14-17,19-20H2,1-2H3