N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O7S/c1-27-18-6-4-16(31(25,26)23-7-11-28-12-8-23)14-17(18)22-21(24)15-3-5-19-20(13-15)30-10-2-9-29-19/h3-6,13-14H,2,7-12H2,1H3,(H,22,24)