ethanedioic acid; N-methyl-N-(4-phenylsulfanylphenyl)-2-piperidin-1-yl-ethanamide

Systemtic Name: ethanedioic acid; N-methyl-N-(4-phenylsulfanylphenyl)-2-piperidin-1-yl-ethanamide Openeye Name: N-methyl-N-(4-phenylsulfanylphenyl)-2-(1-piperidyl)acetamide; oxalic acid CAS Name: N-methyl-N-[4-(phenylthio)phenyl]-2-(1-piperidinyl)acetamide; oxalic acid IUPAC Name: N-methyl-N-(4-phenylsulfanylphenyl)-2-piperidin-1-ylacetamide; oxalic acid Traditional Name: N-methyl-N-[4-(phenylthio)phenyl]-2-piperidino-acetamide; oxalic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)CN3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)CN3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2OS.C2H2O4/c1-21(20(23)16-22-14-6-3-7-15-22)17-10-12-19(13-11-17)24-18-8-4-2-5-9-18;3-1(4)2(5)6/h2,4-5,8-13H,3,6-7,14-16H2,1H3;(H,3,4)(H,5,6)