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

Systemtic Name: N,N-diethyl-6-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]sulfanyl-pyridine-3-sulfonamide Openeye Name: N,N-diethyl-6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-pyridine-3-sulfonamide CAS Name: N,N-diethyl-6-[[2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]thio]-3-pyridinesulfonamide IUPAC Name: N,N-diethyl-6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanylpyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-[[2-hydroxy-3-(4-propionylphenoxy)propyl]thio]pyridine-3-sulfonamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=C(C=C2)S(=O)(=O)N(CC)CC)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=C(C=C2)S(=O)(=O)N(CC)CC)O

InChI

InChI=1S/C21H28N2O5S2/c1-4-20(25)16-7-9-18(10-8-16)28-14-17(24)15-29-21-12-11-19(13-22-21)30(26,27)23(5-2)6-3/h7-13,17,24H,4-6,14-15H2,1-3H3