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

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]-5-(dimethylamino)oxazole-4-carbonitrile CAS Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-5-(dimethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]-5-(dimethylamino)oxazole-4-carbonitrile Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(N=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CN(C)C1=C(N=C(O1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C22H22N4O4S/c1-25(2)22-18(13-23)24-21(30-22)16-8-9-19(29-3)20(12-16)31(27,28)26-11-10-15-6-4-5-7-17(15)14-26/h4-9,12H,10-11,14H2,1-3H3