5-(azepan-1-ylsulfonyl)-2-[2,5-bis(fluoranyl)phenyl]-1H-indole-3-carbaldehyde

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-[2,5-bis(fluoranyl)phenyl]-1H-indole-3-carbaldehyde Openeye Name: 5-(azepan-1-ylsulfonyl)-2-(2,5-difluorophenyl)-1H-indole-3-carbaldehyde CAS Name: 5-(1-azepanylsulfonyl)-2-(2,5-difluorophenyl)-1H-indole-3-carboxaldehyde IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-(2,5-difluorophenyl)-1H-indole-3-carbaldehyde Traditional Name: 5-(azepan-1-ylsulfonyl)-2-(2,5-difluorophenyl)-1H-indole-3-carbaldehyde Formula: C21H20F2N2O3S MolecularWeight: 418.456906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=C3C=O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=C3C=O)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C21H20F2N2O3S/c22-14-5-7-19(23)17(11-14)21-18(13-26)16-12-15(6-8-20(16)24-21)29(27,28)25-9-3-1-2-4-10-25/h5-8,11-13,24H,1-4,9-10H2