[2-oxidanylidene-1-(phenylsulfonylcarbamoyl)azepan-3-yl]carbamic acid

Systemtic Name: [2-oxidanylidene-1-(phenylsulfonylcarbamoyl)azepan-3-yl]carbamic acid Openeye Name: [1-(benzenesulfonylcarbamoyl)-2-oxo-azepan-3-yl]carbamic acid CAS Name: [1-[benzenesulfonamido(oxo)methyl]-2-oxo-3-azepanyl]carbamic acid IUPAC Name: [1-(benzenesulfonylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid Traditional Name: [1-(besylcarbamoyl)-2-keto-azepan-3-yl]carbamic acid Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)O)C(=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)O)C(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O6S/c18-12-11(15-14(20)21)8-4-5-9-17(12)13(19)16-24(22,23)10-6-2-1-3-7-10/h1-3,6-7,11,15H,4-5,8-9H2,(H,16,19)(H,20,21)