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

Systemtic Name: 1-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]isonipecotic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)NC(=O)C1

InChI

InChI=1S/C16H20N2O5S/c19-15-3-1-2-12-10-13(4-5-14(12)17-15)24(22,23)18-8-6-11(7-9-18)16(20)21/h4-5,10-11H,1-3,6-9H2,(H,17,19)(H,20,21)