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

Systemtic Name: ethyl 1-[[1,5-dimethyl-2,4-bis(oxidanylidene)-1,5-benzodiazepin-7-yl]sulfonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-7-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-[(2,4-diketo-1,5-dimethyl-1,5-benzodiazepin-7-yl)sulfonyl]nipecotic acid ethyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)CC(=O)N3C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)CC(=O)N3C)C

InChI

InChI=1S/C19H25N3O6S/c1-4-28-19(25)13-6-5-9-22(12-13)29(26,27)14-7-8-15-16(10-14)21(3)18(24)11-17(23)20(15)2/h7-8,10,13H,4-6,9,11-12H2,1-3H3