3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piazthiol-4-ylsulfonyl-propan-1-one Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H17N3O3S2/c22-17(21-10-8-13-4-1-2-5-14(13)12-21)9-11-26(23,24)16-7-3-6-15-18(16)20-25-19-15/h1-7H,8-12H2