N-(2-aminocarbonylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-aminocarbonylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-carbamoylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2-carbamoylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-carbamoylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-carbamoylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H20FN3O4S MolecularWeight: 453.486003

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C23H20FN3O4S/c24-17-9-11-18(12-10-17)32(30,31)27-14-16-6-2-1-5-15(16)13-21(27)23(29)26-20-8-4-3-7-19(20)22(25)28/h1-12,21H,13-14H2,(H2,25,28)(H,26,29)