1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-yl-propan-2-ol; ethanedioic acid

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-yl-propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-morpholino-propan-2-ol; oxalic acid CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-3-(4-morpholinyl)-2-propanol; oxalic acid IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol; oxalic acid Traditional Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-3-morpholino-propan-2-ol; oxalic acid Formula: C21H33N3O10S MolecularWeight: 519.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(CN3CCOCC3)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(CN3CCOCC3)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31N3O6S.C2H2O4/c1-26-18-4-3-17(13-19(18)27-2)29(24,25)22-7-5-20(6-8-22)14-16(23)15-21-9-11-28-12-10-21;3-1(4)2(5)6/h3-4,13,16,23H,5-12,14-15H2,1-2H3;(H,3,4)(H,5,6)