N-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide

Systemtic Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide Openeye Name: N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide CAS Name: N-[6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1,3-benzothiazol-2-yl]methanesulfonamide IUPAC Name: N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide Traditional Name: N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H17N3O3S2/c1-26(23,24)20-18-19-15-7-6-13(10-16(15)25-18)17(22)21-9-8-12-4-2-3-5-14(12)11-21/h2-7,10H,8-9,11H2,1H3,(H,19,20)