2-(3-methyl-4-propan-2-yl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-isopropyl-3-methyl-phenoxy)ethanone CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(4-isopropyl-3-methyl-phenoxy)ethanone Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-18(2)22-10-9-21(15-19(22)3)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