4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Formula: C27H27FN4O3S2 MolecularWeight: 538.656683

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27FN4O3S2/c1-30(2)15-16-32(27-29-24-12-9-22(28)17-25(24)36-27)26(33)20-7-10-23(11-8-20)37(34,35)31-14-13-19-5-3-4-6-21(19)18-31/h3-12,17H,13-16,18H2,1-2H3