methyl 7-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-ethoxyethoxy)phenyl]-1-methylsulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(2-ethoxyethoxy)phenyl]-1-mesyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C23H27NO6S/c1-4-29-13-14-30-21-8-5-17(6-9-21)18-7-10-22-20(15-18)16-19(23(25)28-2)11-12-24(22)31(3,26)27/h5-10,15-16H,4,11-14H2,1-3H3