6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-one

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-one Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(2-morpholino-2-oxo-ethyl)-1,3-benzothiazol-2-one CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-1,3-benzothiazol-2-one IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-(2-keto-2-morpholino-ethyl)-1,3-benzothiazol-2-one Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)S4)CC(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)S4)CC(=O)N5CCOCC5

InChI

InChI=1S/C22H23N3O5S2/c26-21(23-9-11-30-12-10-23)15-25-19-6-5-18(13-20(19)31-22(25)27)32(28,29)24-8-7-16-3-1-2-4-17(16)14-24/h1-6,13H,7-12,14-15H2