[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O7S2 MolecularWeight: 491.53734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O7S2/c22-12-15-5-10-32-20(15)23-19(25)13-31-21(26)14-3-6-24(7-4-14)33(27,28)16-1-2-17-18(11-16)30-9-8-29-17/h1-2,5,10-11,14H,3-4,6-9,13H2,(H,23,25)