N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H19N3O3S2/c1-13-21-17-7-6-16(10-18(17)26-13)27(24,25)20-11-19(23)22-9-8-14-4-2-3-5-15(14)12-22/h2-7,10,20H,8-9,11-12H2,1H3