ethyl 7-(4-methylphenyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: ethyl 7-(4-methylphenyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: ethyl 7-(p-tolyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-(4-methylphenyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-methylphenyl)-1-(trifluoromethylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-(p-tolyl)-1-triflyl-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester Formula: C21H20F3NO4S MolecularWeight: 439.44801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)C)N(CC1)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)C)N(CC1)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H20F3NO4S/c1-3-29-20(26)17-10-11-25(30(27,28)21(22,23)24)19-9-8-16(12-18(19)13-17)15-6-4-14(2)5-7-15/h4-9,12-13H,3,10-11H2,1-2H3