[(3aR,4R,6R,6aR)-4-(4-aminocarbonyl-1,2,3-triazol-2-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(3aR,4R,6R,6aR)-4-(4-aminocarbonyl-1,2,3-triazol-2-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(3aR,4R,6R,6aR)-4-(4-carbamoyltriazol-2-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3aR,4R,6R,6aR)-4-(4-carbamoyl-2-triazolyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester IUPAC Name: [(3aR,4R,6R,6aR)-4-(4-carbamoyltriazol-2-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3aR,4R,6R,6aR)-4-(4-carbamoyltriazol-2-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester Formula: C17H20N4O8S MolecularWeight: 440.4277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(O2)N4N=CC(=N4)C(=O)N)OC(O3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@H]([C@@H](O2)N4N=CC(=N4)C(=O)N)OC(O3)OC

InChI

InChI=1S/C17H20N4O8S/c1-9-3-5-10(6-4-9)30(23,24)26-8-12-13-14(29-17(25-2)28-13)16(27-12)21-19-7-11(20-21)15(18)22/h3-7,12-14,16-17H,8H2,1-2H3,(H2,18,22)/t12-,13-,14-,16-,17?/m1/s1