6-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[3-(4-cyanophenoxy)-2-hydroxy-propyl]sulfanyl-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[[3-(4-cyanophenoxy)-2-hydroxypropyl]thio]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[3-(4-cyanophenoxy)-2-hydroxypropyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[[3-(4-cyanophenoxy)-2-hydroxy-propyl]thio]-N,N-diethyl-pyridine-3-sulfonamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C19H23N3O4S2/c1-3-22(4-2)28(24,25)18-9-10-19(21-12-18)27-14-16(23)13-26-17-7-5-15(11-20)6-8-17/h5-10,12,16,23H,3-4,13-14H2,1-2H3