2-(2-fluorophenyl)sulfonyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(2-fluorophenyl)sulfonyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(2-fluorophenyl)sulfonyl-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(2-fluorophenyl)sulfonyl-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(2-fluorophenyl)sulfonyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2-fluorophenyl)sulfonyl-N-(4-methoxy-3-piperidinosulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H30FN3O6S2 MolecularWeight: 587.682703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C28H30FN3O6S2/c1-38-25-14-13-22(18-27(25)39(34,35)31-15-7-2-8-16-31)30-28(33)24-17-20-9-3-4-10-21(20)19-32(24)40(36,37)26-12-6-5-11-23(26)29/h3-6,9-14,18,24H,2,7-8,15-17,19H2,1H3,(H,30,33)