2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide CAS Name: 2-[N-methylsulfonyl-4-[4-morpholinyl(oxo)methyl]anilino]-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-[N-mesyl-4-(morpholine-4-carbonyl)anilino]acetamide Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C24H31N3O5S2/c1-34(30,31)27(18-23(28)25-12-5-17-33-19-20-6-3-2-4-7-20)22-10-8-21(9-11-22)24(29)26-13-15-32-16-14-26/h2-4,6-11H,5,12-19H2,1H3,(H,25,28)