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

Systemtic Name: ethyl 1-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-2-carboxylate CAS Name: 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-2-carboxylate Traditional Name: 1-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]pipecolinic acid ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

Isomeric SMILES

CCOC(=O)C1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

InChI

InChI=1S/C18H24N2O5S/c1-2-25-18(22)16-7-3-4-11-20(16)26(23,24)14-9-10-15-13(12-14)6-5-8-17(21)19-15/h9-10,12,16H,2-8,11H2,1H3,(H,19,21)