2-(4-tert-butylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(4-tert-butylphenoxy)ethanone Formula: C23H30N2O4S MolecularWeight: 430.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4S/c1-23(2,3)20-9-11-21(12-10-20)29-17-22(26)24-13-15-25(16-14-24)30(27,28)18-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3