5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(piperonylamino)oxazole-4-carbonitrile Formula: C27H22N4O5S MolecularWeight: 514.55238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC(=C(O4)NCC5=CC6=C(C=C5)OCO6)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC(=C(O4)NCC5=CC6=C(C=C5)OCO6)C#N

InChI

InChI=1S/C27H22N4O5S/c28-14-23-27(29-15-18-5-10-24-25(13-18)35-17-34-24)36-26(30-23)20-6-8-22(9-7-20)37(32,33)31-12-11-19-3-1-2-4-21(19)16-31/h1-10,13,29H,11-12,15-17H2