(4aS,8aR)-N'-[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-4-oxidanylidene-4a,8a-dihydrochromene-2-carbohydrazide

Systemtic Name: (4aS,8aR)-N'-[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-4-oxidanylidene-4a,8a-dihydrochromene-2-carbohydrazide Openeye Name: (4aS,8aR)-N'-[4-(azepan-1-ylsulfonyl)benzoyl]-4-oxo-4a,8a-dihydrochromene-2-carbohydrazide CAS Name: (4aS,8aR)-N'-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-4-oxo-4a,8a-dihydro-1-benzopyran-2-carbohydrazide IUPAC Name: (4aS,8aR)-N'-[4-(azepan-1-ylsulfonyl)benzoyl]-4-oxo-4a,8a-dihydrochromene-2-carbohydrazide Traditional Name: (4aS,8aR)-N'-[4-(azepan-1-ylsulfonyl)benzoyl]-4-keto-4a,8a-dihydrochromene-2-carbohydrazide Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=O)C4C=CC=CC4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=O)[C@H]4C=CC=C[C@H]4O3

InChI

InChI=1S/C23H25N3O6S/c27-19-15-21(32-20-8-4-3-7-18(19)20)23(29)25-24-22(28)16-9-11-17(12-10-16)33(30,31)26-13-5-1-2-6-14-26/h3-4,7-12,15,18,20H,1-2,5-6,13-14H2,(H,24,28)(H,25,29)/t18-,20-/m1/s1