3-morpholin-4-yl-N-[3-(4-phenoxyphenyl)sulfonyl-1-sulfanyl-propyl]propanamide

Systemtic Name: 3-morpholin-4-yl-N-[3-(4-phenoxyphenyl)sulfonyl-1-sulfanyl-propyl]propanamide Openeye Name: 3-morpholino-N-[3-(4-phenoxyphenyl)sulfonyl-1-sulfanyl-propyl]propanamide CAS Name: N-[1-mercapto-3-(4-phenoxyphenyl)sulfonylpropyl]-3-(4-morpholinyl)propanamide IUPAC Name: 3-morpholin-4-yl-N-[3-(4-phenoxyphenyl)sulfonyl-1-sulfanylpropyl]propanamide Traditional Name: N-[1-mercapto-3-(4-phenoxyphenyl)sulfonyl-propyl]-3-morpholino-propionamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(=O)NC(CCS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)S

Isomeric SMILES

C1COCCN1CCC(=O)NC(CCS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)S

InChI

InChI=1S/C22H28N2O5S2/c25-21(10-12-24-13-15-28-16-14-24)23-22(30)11-17-31(26,27)20-8-6-19(7-9-20)29-18-4-2-1-3-5-18/h1-9,22,30H,10-17H2,(H,23,25)