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

Systemtic Name: ethanedioic acid; 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-[(4-methylphenyl)-phenyl-methoxy]propan-2-ol Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-[phenyl(p-tolyl)methoxy]propan-2-ol; oxalic acid CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-3-[(4-methylphenyl)-phenylmethoxy]-2-propanol; oxalic acid IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol; oxalic acid Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-3-[phenyl(p-tolyl)methoxy]propan-2-ol; oxalic acid Formula: C30H35N3O11S MolecularWeight: 645.6774

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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(=C(C=C4)OC)[N+](=O)[O-])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(=C(C=C4)OC)[N+](=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H33N3O7S.C2H2O4/c1-21-8-10-23(11-9-21)28(22-6-4-3-5-7-22)38-20-24(32)19-29-14-16-30(17-15-29)39(35,36)25-12-13-27(37-2)26(18-25)31(33)34;3-1(4)2(5)6/h3-13,18,24,28,32H,14-17,19-20H2,1-2H3;(H,3,4)(H,5,6)