1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-isopropylphenoxy)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(3-isopropylphenoxy)ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-17(2)18-7-6-8-19(15-18)27-16-21(24)22-11-13-23(14-12-22)28(25,26)20-9-4-3-5-10-20/h3-10,15,17H,11-14,16H2,1-2H3