5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazole

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazole Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfonyl-4-(p-tolylsulfonyl)thiazole CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonyl-2-methylsulfonylthiazole IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazole Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-mesyl-4-tosyl-thiazole Formula: C20H20N2O4S3 MolecularWeight: 448.5788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N2O4S3/c1-14-7-9-17(10-8-14)29(25,26)18-19(27-20(21-18)28(2,23)24)22-12-11-15-5-3-4-6-16(15)13-22/h3-10H,11-13H2,1-2H3