ethanedioic acid; 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one

Systemtic Name: ethanedioic acid; 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one Openeye Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)-4-piperidyl]propan-1-one; oxalic acid CAS Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidinyl]-1-propanone; oxalic acid IUPAC Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one; oxalic acid Traditional Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidyl]propan-1-one; oxalic acid Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2SC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2SC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NOS.C2H2O4/c1-3-20(23)21(13-15-22(2)16-14-21)18-11-7-8-12-19(18)24-17-9-5-4-6-10-17;3-1(4)2(5)6/h4-12H,3,13-16H2,1-2H3;(H,3,4)(H,5,6)