2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; N-ethyl-1-(4-methoxyphenyl)-N-[methylsulfonyl(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-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine Openeye Name: 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid; N-ethyl-1-(4-methoxyphenyl)-N-[methylsulfonyl(4-piperidyl)methyl]propan-2-amine CAS Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; N-ethyl-1-(4-methoxyphenyl)-N-[methylsulfonyl(4-piperidinyl)methyl]-2-propanamine IUPAC Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; N-ethyl-1-(4-methoxyphenyl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine Traditional Name: 2,3-dibenzoyl-2,3-dihydroxy-succinic acid; ethyl-[mesyl(4-piperidyl)methyl]-[2-(4-methoxyphenyl)-1-methyl-ethyl]amine Formula: C37H46N2O11S MolecularWeight: 726.83294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)CC1=CC=C(C=C1)OC)C(C2CCNCC2)S(=O)(=O)C.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(C(C)CC1=CC=C(C=C1)OC)C(C2CCNCC2)S(=O)(=O)C.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/C19H32N2O3S.C18H14O8/c1-5-21(15(2)14-16-6-8-18(24-3)9-7-16)19(25(4,22)23)17-10-12-20-13-11-17;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/h6-9,15,17,19-20H,5,10-14H2,1-4H3;1-10,25-26H,(H,21,22)(H,23,24)