[[4-(4-methoxy-2-methyl-phenyl)-5-oxidanylidene-1,3,4-oxadiazol-2-yl]-oxidanyl-methyl] 4-methylbenzenesulfonate; 2-methylpropan-1-amine

Systemtic Name: [[4-(4-methoxy-2-methyl-phenyl)-5-oxidanylidene-1,3,4-oxadiazol-2-yl]-oxidanyl-methyl] 4-methylbenzenesulfonate; 2-methylpropan-1-amine Openeye Name: [hydroxy-[4-(4-methoxy-2-methyl-phenyl)-5-oxo-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate; 2-methylpropan-1-amine CAS Name: 4-methylbenzenesulfonic acid [hydroxy-[4-(4-methoxy-2-methylphenyl)-5-oxo-1,3,4-oxadiazol-2-yl]methyl] ester; 2-methyl-1-propanamine IUPAC Name: [hydroxy-[4-(4-methoxy-2-methylphenyl)-5-oxo-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate; 2-methylpropan-1-amine Traditional Name: isobutylamine; 4-methylbenzenesulfonic acid [hydroxy-[5-keto-4-(4-methoxy-2-methyl-phenyl)-1,3,4-oxadiazol-2-yl]methyl] ester Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=NN(C(=O)O2)C3=C(C=C(C=C3)OC)C)O.CC(C)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=NN(C(=O)O2)C3=C(C=C(C=C3)OC)C)O.CC(C)CN

InChI

InChI=1S/C18H18N2O7S.C4H11N/c1-11-4-7-14(8-5-11)28(23,24)27-17(21)16-19-20(18(22)26-16)15-9-6-13(25-3)10-12(15)2;1-4(2)3-5/h4-10,17,21H,1-3H3;4H,3,5H2,1-2H3