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

Systemtic Name: 2-(4-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde Openeye Name: 2-(4-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde CAS Name: 2-[4-(methylthio)phenyl]-5-(1-pyrrolidinylsulfonyl)-1H-indole-3-carboxaldehyde IUPAC Name: 2-(4-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde Traditional Name: 2-[4-(methylthio)phenyl]-5-pyrrolidinosulfonyl-1H-indole-3-carbaldehyde Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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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)N4CCCC4)C=O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCC4)C=O

InChI

InChI=1S/C20H20N2O3S2/c1-26-15-6-4-14(5-7-15)20-18(13-23)17-12-16(8-9-19(17)21-20)27(24,25)22-10-2-3-11-22/h4-9,12-13,21H,2-3,10-11H2,1H3