[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C21H22ClNO7S2 MolecularWeight: 499.98488

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)C4=CC=C(S4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC(=O)C4=CC=C(S4)Cl)OC1

InChI

InChI=1S/C21H22ClNO7S2/c22-20-5-4-19(31-20)16(24)13-30-21(25)14-6-8-23(9-7-14)32(26,27)15-2-3-17-18(12-15)29-11-1-10-28-17/h2-5,12,14H,1,6-11,13H2