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

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonyl-4-(p-tolylsulfonyl)thiazole CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonylthiazole IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-esyl-4-tosyl-thiazole Formula: C21H22N2O4S3 MolecularWeight: 462.60538

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC(=C(S1)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCS(=O)(=O)C1=NC(=C(S1)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H22N2O4S3/c1-3-29(24,25)21-22-19(30(26,27)18-10-8-15(2)9-11-18)20(28-21)23-13-12-16-6-4-5-7-17(16)14-23/h4-11H,3,12-14H2,1-2H3