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

Systemtic Name: 2-(4-methylsulfanylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde Openeye Name: 2-(4-methylsulfanylphenyl)-5-(1-piperidylsulfonyl)-1H-indole-3-carbaldehyde CAS Name: 2-[4-(methylthio)phenyl]-5-(1-piperidinylsulfonyl)-1H-indole-3-carboxaldehyde IUPAC Name: 2-(4-methylsulfanylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde Traditional Name: 2-[4-(methylthio)phenyl]-5-piperidinosulfonyl-1H-indole-3-carbaldehyde Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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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)N4CCCCC4)C=O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCC4)C=O

InChI

InChI=1S/C21H22N2O3S2/c1-27-16-7-5-15(6-8-16)21-19(14-24)18-13-17(9-10-20(18)22-21)28(25,26)23-11-3-2-4-12-23/h5-10,13-14,22H,2-4,11-12H2,1H3