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

Systemtic Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-[(2-methylphenyl)-phenyl-methoxy]propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-[o-tolyl(phenyl)methoxy]propan-2-ol; oxalic acid CAS Name: 1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-[(2-methylphenyl)-phenylmethoxy]-2-propanol; oxalic acid IUPAC Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol; oxalic acid Traditional Name: 1-(4-brosylpiperazino)-3-[o-tolyl(phenyl)methoxy]propan-2-ol; oxalic acid Formula: C29H33BrN2O8S MolecularWeight: 649.54992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31BrN2O4S.C2H2O4/c1-21-7-5-6-10-26(21)27(22-8-3-2-4-9-22)34-20-24(31)19-29-15-17-30(18-16-29)35(32,33)25-13-11-23(28)12-14-25;3-1(4)2(5)6/h2-14,24,27,31H,15-20H2,1H3;(H,3,4)(H,5,6)