3,4-dihydropyridin-2-yl tris(fluoranyl)methanesulfonate; 5,6-dimethoxy-1-(phenylsulfonyl)indole

Systemtic Name: 3,4-dihydropyridin-2-yl tris(fluoranyl)methanesulfonate; 5,6-dimethoxy-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-5,6-dimethoxy-indole; 3,4-dihydropyridin-2-yl trifluoromethanesulfonate CAS Name: 1-(benzenesulfonyl)-5,6-dimethoxyindole; trifluoromethanesulfonic acid 3,4-dihydropyridin-2-yl ester IUPAC Name: 1-(benzenesulfonyl)-5,6-dimethoxyindole; 3,4-dihydropyridin-2-yl trifluoromethanesulfonate Traditional Name: 1-besyl-5,6-dimethoxy-indole; trifluoromethanesulfonic acid 3,4-dihydropyridin-2-yl ester Formula: C22H21F3N2O7S2 MolecularWeight: 546.53655

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN2S(=O)(=O)C3=CC=CC=C3)OC.C1CC(=NC=C1)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN2S(=O)(=O)C3=CC=CC=C3)OC.C1CC(=NC=C1)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H15NO4S.C6H6F3NO3S/c1-20-15-10-12-8-9-17(14(12)11-16(15)21-2)22(18,19)13-6-4-3-5-7-13;7-6(8,9)14(11,12)13-5-3-1-2-4-10-5/h3-11H,1-2H3;2,4H,1,3H2