(4-methylphenyl)sulfonyl 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate

Systemtic Name: (4-methylphenyl)sulfonyl 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: p-tolylsulfonyl 7-(4-morpholinophenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 7-[4-(4-morpholinyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid (4-methylphenyl)sulfonyl ester IUPAC Name: (4-methylphenyl)sulfonyl 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 7-(4-morpholinophenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid tosyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)N5CCOCC5)NCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)N5CCOCC5)NCC2

InChI

InChI=1S/C28H28N2O5S/c1-20-2-9-26(10-3-20)36(32,33)35-28(31)23-12-13-29-27-11-6-22(18-24(27)19-23)21-4-7-25(8-5-21)30-14-16-34-17-15-30/h2-11,18-19,29H,12-17H2,1H3