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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NS(=O)(=O)CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1NS(=O)(=O)CC3=CC=CC=C3)CC(=O)O

InChI

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