5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C23H22N4O3S MolecularWeight: 434.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC5=CC=CC=C5C4)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC5=CC=CC=C5C4)C#N

InChI

InChI=1S/C23H22N4O3S/c24-15-21-23(26-14-11-17-5-1-2-6-19(17)16-26)30-22(25-21)18-7-9-20(10-8-18)31(28,29)27-12-3-4-13-27/h1-2,5-10H,3-4,11-14,16H2