methyl 2-(6-cyano-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-fluoranyl-2-(phenylsulfonyl)ethanoate

Systemtic Name: methyl 2-(6-cyano-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-fluoranyl-2-(phenylsulfonyl)ethanoate Openeye Name: methyl 2-(benzenesulfonyl)-2-(6-cyano-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-fluoro-acetate CAS Name: 2-(benzenesulfonyl)-2-(6-cyano-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-fluoroacetic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-2-(6-cyano-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-fluoroacetate Traditional Name: 2-besyl-2-(6-cyano-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-fluoro-acetic acid methyl ester Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCC2=C(C1)NC3=C2C=C(C=C3)C#N)(F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C1CCC2=C(C1)NC3=C2C=C(C=C3)C#N)(F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19FN2O4S/c1-29-21(26)22(23,30(27,28)16-5-3-2-4-6-16)15-8-9-17-18-11-14(13-24)7-10-19(18)25-20(17)12-15/h2-7,10-11,15,25H,8-9,12H2,1H3