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

Systemtic Name: methyl 7-[[4-(3-ethoxypropoxy)phenyl]methylsulfonyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[[4-(3-ethoxypropoxy)phenyl]methylsulfonyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 7-[[4-(3-ethoxypropoxy)phenyl]methylsulfonyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[[4-(3-ethoxypropoxy)phenyl]methylsulfonyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(3-ethoxypropoxy)benzyl]sulfonyl-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)NCCC(=C3)C(=O)OC

Isomeric SMILES

CCOCCCOC1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)NCCC(=C3)C(=O)OC

InChI

InChI=1S/C24H29NO6S/c1-3-30-13-4-14-31-21-7-5-18(6-8-21)17-32(27,28)22-9-10-23-20(16-22)15-19(11-12-25-23)24(26)29-2/h5-10,15-16,25H,3-4,11-14,17H2,1-2H3