2-(5-methyl-2-propan-2-yl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-isopropyl-5-methyl-phenoxy)ethanone CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(2-isopropyl-5-methyl-phenoxy)ethanone Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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