5-(azepan-1-ylsulfonyl)-2-(2-methylphenyl)-1H-indole-3-carbaldehyde

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-(2-methylphenyl)-1H-indole-3-carbaldehyde Openeye Name: 5-(azepan-1-ylsulfonyl)-2-(o-tolyl)-1H-indole-3-carbaldehyde CAS Name: 5-(1-azepanylsulfonyl)-2-(2-methylphenyl)-1H-indole-3-carboxaldehyde IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-(2-methylphenyl)-1H-indole-3-carbaldehyde Traditional Name: 5-(azepan-1-ylsulfonyl)-2-(o-tolyl)-1H-indole-3-carbaldehyde Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C=O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C=O

InChI

InChI=1S/C22H24N2O3S/c1-16-8-4-5-9-18(16)22-20(15-25)19-14-17(10-11-21(19)23-22)28(26,27)24-12-6-2-3-7-13-24/h4-5,8-11,14-15,23H,2-3,6-7,12-13H2,1H3