N-[(3aS,4S,5R,9bR)-5-fluoranyl-2,2-dimethyl-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzodioxol-4-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(3aS,4S,5R,9bR)-5-fluoranyl-2,2-dimethyl-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzodioxol-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(3aS,4S,5R,9bR)-5-fluoro-2,2-dimethyl-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzodioxol-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[(3aS,4S,5R,9bR)-5-fluoro-2,2-dimethyl-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzodioxol-4-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3aS,4S,5R,9bR)-5-fluoro-2,2-dimethyl-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzodioxol-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(3aS,4S,5R,9bR)-5-fluoro-2,2-dimethyl-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzodioxol-4-yl]-4-methyl-benzenesulfonamide Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2C3C(C4=CC=CC=C4C2F)OC(O3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@H]3[C@@H](C4=CC=CC=C4[C@H]2F)OC(O3)(C)C

InChI

InChI=1S/C20H22FNO4S/c1-12-8-10-13(11-9-12)27(23,24)22-17-16(21)14-6-4-5-7-15(14)18-19(17)26-20(2,3)25-18/h4-11,16-19,22H,1-3H3/t16-,17-,18-,19+/m1/s1