4-[4-[4-(oxidanylcarbamoyl)oxan-4-yl]sulfonylphenoxy]butyl 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 4-[4-[4-(oxidanylcarbamoyl)oxan-4-yl]sulfonylphenoxy]butyl 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 4-[4-[4-(hydroxycarbamoyl)tetrahydropyran-4-yl]sulfonylphenoxy]butyl 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid 4-[4-[[4-[(hydroxyamino)-oxomethyl]-4-oxanyl]sulfonyl]phenoxy]butyl ester IUPAC Name: 4-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]butyl 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid 4-[4-[4-(hydroxycarbamoyl)tetrahydropyran-4-yl]sulfonylphenoxy]butyl ester Formula: C26H32N2O8S MolecularWeight: 532.60588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)OCCCCOC3=CC=C(C=C3)S(=O)(=O)C4(CCOCC4)C(=O)NO

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)OCCCCOC3=CC=C(C=C3)S(=O)(=O)C4(CCOCC4)C(=O)NO

InChI

InChI=1S/C26H32N2O8S/c29-24(27-31)26(12-17-34-18-13-26)37(32,33)23-9-7-22(8-10-23)35-15-3-4-16-36-25(30)28-14-11-20-5-1-2-6-21(20)19-28/h1-2,5-10,31H,3-4,11-19H2,(H,27,29)