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

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]-5-(methylamino)oxazole-4-carbonitrile CAS Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-5-(methylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]-5-(methylamino)oxazole-4-carbonitrile Formula: C21H20N4O4S MolecularWeight: 424.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(N=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CNC1=C(N=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C21H20N4O4S/c1-23-21-17(12-22)24-20(29-21)15-7-8-18(28-2)19(11-15)30(26,27)25-10-9-14-5-3-4-6-16(14)13-25/h3-8,11,23H,9-10,13H2,1-2H3