methyl 1-methylsulfonyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 1-methylsulfonyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-methylsulfonyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-methylsulfonyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-methylsulfonyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-mesyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C22H25NO5S/c1-4-13-28-20-8-5-16(6-9-20)17-7-10-21-19(14-17)15-18(22(24)27-2)11-12-23(21)29(3,25)26/h5-10,14-15H,4,11-13H2,1-3H3