ethanedioic acid; [2-[6-[4-(phenylmethyl)piperidin-1-yl]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [2-[6-[4-(phenylmethyl)piperidin-1-yl]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[6-(4-benzyl-1-piperidyl)hexylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid CAS Name: oxalic acid; [2-[6-[4-(phenylmethyl)-1-piperidinyl]hexylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: [2-[6-(4-benzylpiperidin-1-yl)hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [2-[6-(4-benzylpiperidino)hexylthio]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; oxalic acid Formula: C33H42N2O5S2 MolecularWeight: 610.82698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN3CCC(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN3CCC(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H40N2OS2.C2H2O4/c1-24(2)28-15-14-27(30(34)29-13-10-22-35-29)31(32-28)36-21-9-4-3-8-18-33-19-16-26(17-20-33)23-25-11-6-5-7-12-25;3-1(4)2(5)6/h5-7,10-15,22,24,26H,3-4,8-9,16-21,23H2,1-2H3;(H,3,4)(H,5,6)