N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(2-methoxy-5-morpholinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H27N3O8S2 MolecularWeight: 525.59508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O8S2/c1-31-19-8-7-16(35(29,30)24-11-13-32-14-12-24)15-17(19)23-22(26)21-9-10-25(34(2,27)28)18-5-3-4-6-20(18)33-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)