2-acetamido-N-(oxan-2-yloxy)-3-(4-phenylsulfanylphenyl)sulfonyl-propanamide

Systemtic Name: 2-acetamido-N-(oxan-2-yloxy)-3-(4-phenylsulfanylphenyl)sulfonyl-propanamide Openeye Name: 2-acetamido-3-(4-phenylsulfanylphenyl)sulfonyl-N-tetrahydropyran-2-yloxy-propanamide CAS Name: 2-acetamido-N-(2-oxanyloxy)-3-[4-(phenylthio)phenyl]sulfonylpropanamide IUPAC Name: 2-acetamido-N-(oxan-2-yloxy)-3-(4-phenylsulfanylphenyl)sulfonylpropanamide Traditional Name: 2-acetamido-3-[4-(phenylthio)phenyl]sulfonyl-N-tetrahydropyran-2-yloxy-propionamide Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)NOC3CCCCO3

Isomeric SMILES

CC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)NOC3CCCCO3

InChI

InChI=1S/C22H26N2O6S2/c1-16(25)23-20(22(26)24-30-21-9-5-6-14-29-21)15-32(27,28)19-12-10-18(11-13-19)31-17-7-3-2-4-8-17/h2-4,7-8,10-13,20-21H,5-6,9,14-15H2,1H3,(H,23,25)(H,24,26)