2-(7-morpholin-4-ylsulfonyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoic acid

Systemtic Name: 2-(7-morpholin-4-ylsulfonyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoic acid Openeye Name: 2-(7-morpholinosulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid CAS Name: 2-[7-(4-morpholinylsulfonyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid Traditional Name: 2-(2-keto-7-morpholinosulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N(C(=O)C1)CC(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N(C(=O)C1)CC(=O)O

InChI

InChI=1S/C16H20N2O6S/c19-15-3-1-2-12-10-13(4-5-14(12)18(15)11-16(20)21)25(22,23)17-6-8-24-9-7-17/h4-5,10H,1-3,6-9,11H2,(H,20,21)