2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N2O7S2/c1-28-19-5-3-16(13-21(19)33(26,27)24-7-11-29-12-8-24)23-22(25)15-32-17-4-6-18-20(14-17)31-10-2-9-30-18/h3-6,13-14H,2,7-12,15H2,1H3,(H,23,25)