ethanedioic acid; 1-[(4-methylphenyl)-phenyl-methoxy]-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[(4-methylphenyl)-phenyl-methoxy]-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-[phenyl(p-tolyl)methoxy]propan-2-ol; oxalic acid CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-[(4-methylphenyl)-phenylmethoxy]-2-propanol; oxalic acid IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol; oxalic acid Traditional Name: 1-(4-besylpiperazino)-3-[phenyl(p-tolyl)methoxy]propan-2-ol; oxalic acid Formula: C29H34N2O8S MolecularWeight: 570.65386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H32N2O4S.C2H2O4/c1-22-12-14-24(15-13-22)27(23-8-4-2-5-9-23)33-21-25(30)20-28-16-18-29(19-17-28)34(31,32)26-10-6-3-7-11-26;3-1(4)2(5)6/h2-15,25,27,30H,16-21H2,1H3;(H,3,4)(H,5,6)