N-[(1S,2R,3S,4S,5R)-3-bromanyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,2R,3S,4S,5R)-3-bromanyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2R,3S,4S,5R)-4-benzyloxy-3-bromo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2R,3S,4S,5R)-3-bromo-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2R,3S,4S,5R)-3-bromo-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2R,3S,4S,5R)-4-benzoxy-3-bromo-6,8-dioxabicyclo[3.2.1]octan-2-yl]-4-methyl-benzenesulfonamide Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2C3COC(O3)C(C2Br)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2Br)OCC4=CC=CC=C4

InChI

InChI=1S/C20H22BrNO5S/c1-13-7-9-15(10-8-13)28(23,24)22-18-16-12-26-20(27-16)19(17(18)21)25-11-14-5-3-2-4-6-14/h2-10,16-20,22H,11-12H2,1H3/t16-,17+,18-,19-,20-/m1/s1