methyl 7-(4-ethoxy-3-fluoranyl-phenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-(4-ethoxy-3-fluoranyl-phenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-(4-ethoxy-3-fluoro-phenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-(4-ethoxy-3-fluorophenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-ethoxy-3-fluorophenyl)-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-(4-ethoxy-3-fluoro-phenyl)-1-mesyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)S(=O)(=O)C)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)S(=O)(=O)C)F

InChI

InChI=1S/C21H22FNO5S/c1-4-28-20-8-6-15(13-18(20)22)14-5-7-19-17(11-14)12-16(21(24)27-2)9-10-23(19)29(3,25)26/h5-8,11-13H,4,9-10H2,1-3H3