2-[3-oxidanylidene-4-[(phenylmethyl)sulfonylamino]-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-4-[(phenylmethyl)sulfonylamino]-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoic acid Openeye Name: 2-[4-(benzylsulfonylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid CAS Name: 2-[3-oxo-4-[(phenylmethyl)sulfonylamino]-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid IUPAC Name: 2-[4-(benzylsulfonylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid Traditional Name: 2-[4-(benzylsulfonylamino)-3-keto-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=CC=CC=C21)CC(=O)O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)N(CC2=CC=CC=C21)CC(=O)O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S/c22-18(23)12-21-11-16-9-5-4-8-15(16)10-17(19(21)24)20-27(25,26)13-14-6-2-1-3-7-14/h1-9,17,20H,10-13H2,(H,22,23)