N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-chloro-4-fluoro-benzyl)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H24ClFN2O5S MolecularWeight: 518.984863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC(=C(C=C4)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC(=C(C=C4)F)Cl)OC

InChI

InChI=1S/C25H24ClFN2O5S/c1-33-23-10-8-19(13-24(23)34-2)35(31,32)29-15-18-6-4-3-5-17(18)12-22(29)25(30)28-14-16-7-9-21(27)20(26)11-16/h3-11,13,22H,12,14-15H2,1-2H3,(H,28,30)