N'-(3-morpholin-4-ylsulfonylphenyl)carbonyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide

Systemtic Name: N'-(3-morpholin-4-ylsulfonylphenyl)carbonyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide Openeye Name: N'-(3-morpholinosulfonylbenzoyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide CAS Name: N'-[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carbohydrazide IUPAC Name: N'-(3-morpholin-4-ylsulfonylbenzoyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide Traditional Name: N'-(3-morpholinosulfonylbenzoyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carbohydrazide Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C21H23N3O7S/c25-20(15-3-1-4-17(13-15)32(27,28)24-7-11-29-12-8-24)22-23-21(26)16-5-6-18-19(14-16)31-10-2-9-30-18/h1,3-6,13-14H,2,7-12H2,(H,22,25)(H,23,26)