ethyl 1-[[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-7-yl]sulfonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-7-yl]sulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-7-yl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-7-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-7-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[(2,5-diketo-3,4-dihydro-1H-1,4-benzodiazepin-7-yl)sulfonyl]isonipecotic acid ethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CNC3=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CNC3=O

InChI

InChI=1S/C17H21N3O6S/c1-2-26-17(23)11-5-7-20(8-6-11)27(24,25)12-3-4-14-13(9-12)16(22)18-10-15(21)19-14/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,22)(H,19,21)