N-(4-chloranyl-2,5-dimethoxy-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)OC)Cl

InChI

InChI=1S/C19H21ClN2O6S/c1-26-17-11-13(18(27-2)10-12(17)20)21-19(23)16-8-9-22(29(3,24)25)14-6-4-5-7-15(14)28-16/h4-7,10-11,16H,8-9H2,1-3H3,(H,21,23)