5-(azepan-1-ylsulfonyl)-2-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde Openeye Name: 5-(azepan-1-ylsulfonyl)-2-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde CAS Name: 5-(1-azepanylsulfonyl)-2-[4-(methylthio)phenyl]-1H-indole-3-carboxaldehyde IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde Traditional Name: 5-(azepan-1-ylsulfonyl)-2-[4-(methylthio)phenyl]-1H-indole-3-carbaldehyde Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C=O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C=O

InChI

InChI=1S/C22H24N2O3S2/c1-28-17-8-6-16(7-9-17)22-20(15-25)19-14-18(10-11-21(19)23-22)29(26,27)24-12-4-2-3-5-13-24/h6-11,14-15,23H,2-5,12-13H2,1H3