2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]-3-sulfanyl-propanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]-3-sulfanyl-propanamide Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(2-morpholinoethyl)amino]-3-sulfanyl-propanamide CAS Name: 3-mercapto-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-[2-(4-morpholinyl)ethyl]amino]propanamide IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]-3-sulfanylpropanamide Traditional Name: 3-mercapto-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(2-morpholinoethyl)amino]propionamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)C(CS)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)C(CS)C(=O)N

InChI

InChI=1S/C22H29N3O5S2/c1-29-19-6-2-17(3-7-19)18-4-8-20(9-5-18)32(27,28)25(21(16-31)22(23)26)11-10-24-12-14-30-15-13-24/h2-9,21,31H,10-16H2,1H3,(H2,23,26)