1-[3-methoxy-4-[(2R)-2-oxidanyl-3-[4-(phenylsulfonyl)piperazin-1-yl]propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[(2R)-2-oxidanyl-3-[4-(phenylsulfonyl)piperazin-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2R)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2R)-3-[4-(benzenesulfonyl)-1-piperazinyl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2R)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2R)-3-(4-besylpiperazino)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@@H](CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)O)OC

InChI

InChI=1S/C22H28N2O6S/c1-17(25)18-8-9-21(22(14-18)29-2)30-16-19(26)15-23-10-12-24(13-11-23)31(27,28)20-6-4-3-5-7-20/h3-9,14,19,26H,10-13,15-16H2,1-2H3/t19-/m1/s1