2-[3-[[(4-aminocarbonylsulfonylphenyl)methylamino]methyl]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]-N-(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)ethanamide

Systemtic Name: 2-[3-[[(4-aminocarbonylsulfonylphenyl)methylamino]methyl]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]-N-(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)ethanamide Openeye Name: 2-[3-[[(4-carbamoylsulfonylphenyl)methylamino]methyl]-7-oxo-5,6-dihydro-2H-azepin-1-yl]-N-(2-hydroxy-5-oxo-tetrahydrofuran-3-yl)acetamide CAS Name: 2-[3-[[(4-carbamoylsulfonylphenyl)methylamino]methyl]-7-oxo-5,6-dihydro-2H-azepin-1-yl]-N-(2-hydroxy-5-oxo-3-oxolanyl)acetamide IUPAC Name: 2-[3-[[(4-carbamoylsulfonylphenyl)methylamino]methyl]-7-oxo-5,6-dihydro-2H-azepin-1-yl]-N-(2-hydroxy-5-oxooxolan-3-yl)acetamide Traditional Name: 2-[3-[[(4-carbamoylsulfonylbenzyl)amino]methyl]-7-keto-5,6-dihydro-2H-azepin-1-yl]-N-(2-hydroxy-5-keto-tetrahydrofuran-3-yl)acetamide Formula: C21H26N4O8S MolecularWeight: 494.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC(=C1)CNCC2=CC=C(C=C2)S(=O)(=O)C(=O)N)CC(=O)NC3CC(=O)OC3O

Isomeric SMILES

C1CC(=O)N(CC(=C1)CNCC2=CC=C(C=C2)S(=O)(=O)C(=O)N)CC(=O)NC3CC(=O)OC3O

InChI

InChI=1S/C21H26N4O8S/c22-21(30)34(31,32)15-6-4-13(5-7-15)9-23-10-14-2-1-3-18(27)25(11-14)12-17(26)24-16-8-19(28)33-20(16)29/h2,4-7,16,20,23,29H,1,3,8-12H2,(H2,22,30)(H,24,26)