1-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]proline Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3)C(=O)O

InChI

InChI=1S/C15H18N2O5S/c18-14-5-1-3-10-9-11(6-7-12(10)16-14)23(21,22)17-8-2-4-13(17)15(19)20/h6-7,9,13H,1-5,8H2,(H,16,18)(H,19,20)