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

Systemtic Name: N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(4-methoxy-3-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)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)S(=O)(=O)N4CCOCC4

InChI

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