ethyl 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: ethyl 1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-tosyl-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC=C2N(CC1)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC=C2N(CC1)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21NO4S/c1-3-25-20(22)17-12-13-21(19-7-5-4-6-16(19)14-17)26(23,24)18-10-8-15(2)9-11-18/h4-11,14H,3,12-13H2,1-2H3