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

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-fluorophenyl)sulfonyl-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-fluorophenyl)sulfonyl-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-fluorophenyl)sulfonyl-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H16FN5O3S MolecularWeight: 401.414743

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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)NN4C=NN=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NN4C=NN=C4

InChI

InChI=1S/C18H16FN5O3S/c19-15-5-7-16(8-6-15)28(26,27)24-10-14-4-2-1-3-13(14)9-17(24)18(25)22-23-11-20-21-12-23/h1-8,11-12,17H,9-10H2,(H,22,25)