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

Systemtic Name: (3S)-2-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H18ClFN2O3S MolecularWeight: 444.906323

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C22H18ClFN2O3S/c23-17-9-11-18(12-10-17)30(28,29)26-14-16-6-2-1-5-15(16)13-21(26)22(27)25-20-8-4-3-7-19(20)24/h1-12,21H,13-14H2,(H,25,27)/t21-/m0/s1