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

Systemtic Name: (3S)-2-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-fluorophenyl)sulfonyl-N-(2-furylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-fluorophenyl)sulfonyl-N-(2-furanylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(4-fluorophenyl)sulfonyl-N-(2-furfuryl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H19FN2O4S MolecularWeight: 414.449963

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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)NCC4=CC=CO4

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H19FN2O4S/c22-17-7-9-19(10-8-17)29(26,27)24-14-16-5-2-1-4-15(16)12-20(24)21(25)23-13-18-6-3-11-28-18/h1-11,20H,12-14H2,(H,23,25)/t20-/m0/s1