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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S/c19-15-5-1-3-11-9-13(6-7-14(11)17-15)24(22,23)18-8-2-4-12(10-18)16(20)21/h6-7,9,12H,1-5,8,10H2,(H,17,19)(H,20,21)