5-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)isoxazole-3-carboxamide CAS Name: 5-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-isoxazolecarboxamide IUPAC Name: 5-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)isoxazole-3-carboxamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S/c1-2-12-30(27,28)25-11-10-16-8-9-19(13-18(16)15-25)23-22(26)20-14-21(29-24-20)17-6-4-3-5-7-17/h3-9,13-14H,2,10-12,15H2,1H3,(H,23,26)