2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; N-ethyl-1-(4-methoxyphenyl)-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]propan-2-amine

Systemtic Name: 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; N-ethyl-1-(4-methoxyphenyl)-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]propan-2-amine Openeye Name: 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid; N-ethyl-1-(4-methoxyphenyl)-N-[[1-(trifluoromethylsulfonyl)-4-piperidyl]methyl]propan-2-amine CAS Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; N-ethyl-1-(4-methoxyphenyl)-N-[[1-(trifluoromethylsulfonyl)-4-piperidinyl]methyl]-2-propanamine IUPAC Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; N-ethyl-1-(4-methoxyphenyl)-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]propan-2-amine Traditional Name: 2,3-dibenzoyl-2,3-dihydroxy-succinic acid; ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]-[(1-triflyl-4-piperidyl)methyl]amine Formula: C37H43F3N2O11S MolecularWeight: 780.80433

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)S(=O)(=O)C(F)(F)F)C(C)CC2=CC=C(C=C2)OC.C1=CC=C(C=C1)C(=O)C(C(=O)O)(C(C(=O)C2=CC=CC=C2)(C(=O)O)O)O

Isomeric SMILES

CCN(CC1CCN(CC1)S(=O)(=O)C(F)(F)F)C(C)CC2=CC=C(C=C2)OC.C1=CC=C(C=C1)C(=O)C(C(=O)O)(C(C(=O)C2=CC=CC=C2)(C(=O)O)O)O

InChI

InChI=1S/C19H29F3N2O3S.C18H14O8/c1-4-23(15(2)13-16-5-7-18(27-3)8-6-16)14-17-9-11-24(12-10-17)28(25,26)19(20,21)22;19-13(11-7-3-1-4-8-11)17(25,15(21)22)18(26,16(23)24)14(20)12-9-5-2-6-10-12/h5-8,15,17H,4,9-14H2,1-3H3;1-10,25-26H,(H,21,22)(H,23,24)