N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-3-(p-tolylthio)propionamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H26N2O4S2/c1-16-3-6-18(7-4-16)28-14-9-21(24)22-20-15-19(8-5-17(20)2)29(25,26)23-10-12-27-13-11-23/h3-8,15H,9-14H2,1-2H3,(H,22,24)