3-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]methyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]methyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]-4-methoxy-benzaldehyde CAS Name: 3-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]-4-methoxybenzaldehyde Traditional Name: 3-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-keto-1,3-benzoxazol-3-yl]methyl]-4-methoxy-benzaldehyde Formula: C25H22N2O6S MolecularWeight: 478.51698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC2=O

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC2=O

InChI

InChI=1S/C25H22N2O6S/c1-32-23-9-6-17(16-28)12-20(23)15-27-22-8-7-21(13-24(22)33-25(27)29)34(30,31)26-11-10-18-4-2-3-5-19(18)14-26/h2-9,12-13,16H,10-11,14-15H2,1H3