N-(5-methanoyl-8-pyridin-3-yl-octyl)-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-(5-methanoyl-8-pyridin-3-yl-octyl)-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[5-formyl-8-(3-pyridyl)octyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[5-formyl-8-(3-pyridinyl)octyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-(5-formyl-8-pyridin-3-yloctyl)-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[5-formyl-8-(3-pyridyl)octyl]-4-mesyl-benzenesulfonamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)C=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)C=O

InChI

InChI=1S/C21H28N2O5S2/c1-29(25,26)20-10-12-21(13-11-20)30(27,28)23-15-3-2-6-19(17-24)8-4-7-18-9-5-14-22-16-18/h5,9-14,16-17,19,23H,2-4,6-8,15H2,1H3