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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

InChI

InChI=1S/C18H24N2O5S/c1-2-25-18(22)13-8-10-20(11-9-13)26(23,24)15-6-7-16-14(12-15)4-3-5-17(21)19-16/h6-7,12-13H,2-5,8-11H2,1H3,(H,19,21)