N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Openeye Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide CAS Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-5-isoquinolinesulfonamide IUPAC Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Traditional Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Formula: C26H22FN3O3S MolecularWeight: 475.534583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H22FN3O3S/c27-21-10-12-22(13-11-21)30(18-26(31)29-16-4-7-19-5-1-2-8-24(19)29)34(32,33)25-9-3-6-20-17-28-15-14-23(20)25/h1-3,5-6,8-15,17H,4,7,16,18H2