(2-methylquinolin-8-yl) 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-methyl-8-quinolyl) 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-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 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-methyl-8-quinolyl) ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5)C=C1

InChI

InChI=1S/C25H26N2O6S/c1-17-6-7-18-4-2-5-22(24(18)26-17)33-25(28)19-10-12-27(13-11-19)34(29,30)20-8-9-21-23(16-20)32-15-3-14-31-21/h2,4-9,16,19H,3,10-15H2,1H3