2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenyl-ethanol; ethanedioic acid

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenyl-ethanol; ethanedioic acid Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-phenylethanol; oxalic acid IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol; oxalic acid Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-1-phenyl-ethanol; oxalic acid Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(C3=CC=CC=C3)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(C3=CC=CC=C3)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O3S.C2H2O4/c1-16-8-9-20(17(2)14-16)26(24,25)22-12-10-21(11-13-22)15-19(23)18-6-4-3-5-7-18;3-1(4)2(5)6/h3-9,14,19,23H,10-13,15H2,1-2H3;(H,3,4)(H,5,6)