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

Systemtic Name: ethanedioic acid; 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]ethanone Openeye Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)-4-piperidyl]ethanone; oxalic acid CAS Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidinyl]ethanone; oxalic acid IUPAC Name: 1-[1-methyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]ethanone; oxalic acid Traditional Name: 1-[1-methyl-4-[2-(phenylthio)phenyl]-4-piperidyl]ethanone; oxalic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NOS.C2H2O4/c1-16(22)20(12-14-21(2)15-13-20)18-10-6-7-11-19(18)23-17-8-4-3-5-9-17;3-1(4)2(5)6/h3-11H,12-15H2,1-2H3;(H,3,4)(H,5,6)