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

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(allylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(prop-2-enylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(allylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]oxazole-4-carbonitrile Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

C=CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C22H20N4O3S/c1-2-12-24-22-20(14-23)25-21(29-22)17-7-9-19(10-8-17)30(27,28)26-13-11-16-5-3-4-6-18(16)15-26/h2-10,24H,1,11-13,15H2