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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C28H24FN5O3S2 MolecularWeight: 561.650263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)N(CCN4C=CC=N4)C5=NC6=C(S5)C=C(C=C6)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)N(CCN4C=CC=N4)C5=NC6=C(S5)C=C(C=C6)F

InChI

InChI=1S/C28H24FN5O3S2/c29-23-8-11-25-26(18-23)38-28(31-25)34(17-16-32-14-3-13-30-32)27(35)21-6-9-24(10-7-21)39(36,37)33-15-12-20-4-1-2-5-22(20)19-33/h1-11,13-14,18H,12,15-17,19H2