N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O5S2/c1-31(26,27)24-10-15-5-3-2-4-13(15)8-17(24)20(25)23-21-22-16(11-30-21)14-6-7-18-19(9-14)29-12-28-18/h2-7,9,11,17H,8,10,12H2,1H3,(H,22,23,25)