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

Systemtic Name: ethyl 1-[[3-methyl-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepin-7-yl]sulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[(2,4-diketo-3-methyl-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonyl]isonipecotic acid ethyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(C(=O)N3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(C(=O)N3)C

InChI

InChI=1S/C18H23N3O6S/c1-3-27-18(24)12-6-8-21(9-7-12)28(25,26)13-4-5-14-15(10-13)20-17(23)11(2)16(22)19-14/h4-5,10-12H,3,6-9H2,1-2H3,(H,19,22)(H,20,23)