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

Systemtic Name: 1-[1-(cyclopropylmethyl)-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one; ethanedioic acid Openeye Name: 1-[1-(cyclopropylmethyl)-4-(2-phenylsulfanylphenyl)-4-piperidyl]propan-1-one; oxalic acid CAS Name: 1-[1-(cyclopropylmethyl)-4-[2-(phenylthio)phenyl]-4-piperidinyl]-1-propanone; oxalic acid IUPAC Name: 1-[1-(cyclopropylmethyl)-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one; oxalic acid Traditional Name: 1-[1-(cyclopropylmethyl)-4-[2-(phenylthio)phenyl]-4-piperidyl]propan-1-one; oxalic acid Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)CC2CC2)C3=CC=CC=C3SC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)C1(CCN(CC1)CC2CC2)C3=CC=CC=C3SC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H29NOS.C2H2O4/c1-2-23(26)24(14-16-25(17-15-24)18-19-12-13-19)21-10-6-7-11-22(21)27-20-8-4-3-5-9-20;3-1(4)2(5)6/h3-11,19H,2,12-18H2,1H3;(H,3,4)(H,5,6)