5-(azepan-1-ylsulfonyl)-2-[2-(trifluoromethyl)phenyl]-1H-indole-3-carbaldehyde

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-[2-(trifluoromethyl)phenyl]-1H-indole-3-carbaldehyde Openeye Name: 5-(azepan-1-ylsulfonyl)-2-[2-(trifluoromethyl)phenyl]-1H-indole-3-carbaldehyde CAS Name: 5-(1-azepanylsulfonyl)-2-[2-(trifluoromethyl)phenyl]-1H-indole-3-carboxaldehyde IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-[2-(trifluoromethyl)phenyl]-1H-indole-3-carbaldehyde Traditional Name: 5-(azepan-1-ylsulfonyl)-2-[2-(trifluoromethyl)phenyl]-1H-indole-3-carbaldehyde Formula: C22H21F3N2O3S MolecularWeight: 450.47395

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=C3C=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=C3C=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H21F3N2O3S/c23-22(24,25)19-8-4-3-7-16(19)21-18(14-28)17-13-15(9-10-20(17)26-21)31(29,30)27-11-5-1-2-6-12-27/h3-4,7-10,13-14,26H,1-2,5-6,11-12H2