[4-[(6-ethyl-8-fluoranyl-6H-phenanthridin-5-yl)sulfonyl]phenyl] 3,3-dimethylbutanoate

Systemtic Name: [4-[(6-ethyl-8-fluoranyl-6H-phenanthridin-5-yl)sulfonyl]phenyl] 3,3-dimethylbutanoate Openeye Name: [4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenyl] ester IUPAC Name: [4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenyl] ester Formula: C27H28FNO4S MolecularWeight: 481.578923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(C=CC(=C2)F)C3=CC=CC=C3N1S(=O)(=O)C4=CC=C(C=C4)OC(=O)CC(C)(C)C

Isomeric SMILES

CCC1C2=C(C=CC(=C2)F)C3=CC=CC=C3N1S(=O)(=O)C4=CC=C(C=C4)OC(=O)CC(C)(C)C

InChI

InChI=1S/C27H28FNO4S/c1-5-24-23-16-18(28)10-15-21(23)22-8-6-7-9-25(22)29(24)34(31,32)20-13-11-19(12-14-20)33-26(30)17-27(2,3)4/h6-16,24H,5,17H2,1-4H3