ethanedioic acid; 1-(3-methylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(3-methylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(3-methylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-(3-methylphenoxy)-3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-propanol; oxalic acid IUPAC Name: 1-(3-methylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-(3-methylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazino]propan-2-ol; oxalic acid Formula: C22H27N3O10S MolecularWeight: 525.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O6S.C2H2O4/c1-16-4-2-6-19(12-16)29-15-18(24)14-21-8-10-22(11-9-21)30(27,28)20-7-3-5-17(13-20)23(25)26;3-1(4)2(5)6/h2-7,12-13,18,24H,8-11,14-15H2,1H3;(H,3,4)(H,5,6)