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

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-(4-propylphenyl)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-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 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-keto-2-(4-propylphenyl)ethyl] ester Formula: C25H29NO7S MolecularWeight: 487.56526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H29NO7S/c1-2-3-18-4-6-19(7-5-18)22(27)17-33-25(28)20-10-12-26(13-11-20)34(29,30)21-8-9-23-24(16-21)32-15-14-31-23/h4-9,16,20H,2-3,10-15,17H2,1H3