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

Systemtic Name: methyl 7-[(4-ethoxyphenyl)methylsulfonyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[(4-ethoxyphenyl)methylsulfonyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 7-[(4-ethoxyphenyl)methylsulfonyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[(4-ethoxyphenyl)methylsulfonyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 7-(4-ethoxybenzyl)sulfonyl-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)NCCC(=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)NCCC(=C3)C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-3-27-18-6-4-15(5-7-18)14-28(24,25)19-8-9-20-17(13-19)12-16(10-11-22-20)21(23)26-2/h4-9,12-13,22H,3,10-11,14H2,1-2H3