3-morpholin-4-yl-N-(4-phenoxyphenyl)sulfonyl-N-(1-sulfanylpropyl)propanamide

Systemtic Name: 3-morpholin-4-yl-N-(4-phenoxyphenyl)sulfonyl-N-(1-sulfanylpropyl)propanamide Openeye Name: 3-morpholino-N-(4-phenoxyphenyl)sulfonyl-N-(1-sulfanylpropyl)propanamide CAS Name: N-(1-mercaptopropyl)-3-(4-morpholinyl)-N-(4-phenoxyphenyl)sulfonylpropanamide IUPAC Name: 3-morpholin-4-yl-N-(4-phenoxyphenyl)sulfonyl-N-(1-sulfanylpropyl)propanamide Traditional Name: N-(1-mercaptopropyl)-3-morpholino-N-(4-phenoxyphenyl)sulfonyl-propionamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(C(=O)CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)S

Isomeric SMILES

CCC(N(C(=O)CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)S

InChI

InChI=1S/C22H28N2O5S2/c1-2-22(30)24(21(25)12-13-23-14-16-28-17-15-23)31(26,27)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h3-11,22,30H,2,12-17H2,1H3