N-[2-(4-ethylsulfanyl-2-iodanyl-phenyl)ethyl]-N-pyridin-3-yl-butane-1-sulfonamide

Systemtic Name: N-[2-(4-ethylsulfanyl-2-iodanyl-phenyl)ethyl]-N-pyridin-3-yl-butane-1-sulfonamide Openeye Name: N-[2-(4-ethylsulfanyl-2-iodo-phenyl)ethyl]-N-(3-pyridyl)butane-1-sulfonamide CAS Name: N-[2-[4-(ethylthio)-2-iodophenyl]ethyl]-N-(3-pyridinyl)-1-butanesulfonamide IUPAC Name: N-[2-(4-ethylsulfanyl-2-iodophenyl)ethyl]-N-pyridin-3-ylbutane-1-sulfonamide Traditional Name: N-[2-[4-(ethylthio)-2-iodo-phenyl]ethyl]-N-(3-pyridyl)butane-1-sulfonamide Formula: C19H25IN2O2S2 MolecularWeight: 504.44847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CCC1=C(C=C(C=C1)SCC)I)C2=CN=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)N(CCC1=C(C=C(C=C1)SCC)I)C2=CN=CC=C2

InChI

InChI=1S/C19H25IN2O2S2/c1-3-5-13-26(23,24)22(17-7-6-11-21-15-17)12-10-16-8-9-18(25-4-2)14-19(16)20/h6-9,11,14-15H,3-5,10,12-13H2,1-2H3