1-(4-methylsulfanyl-3-morpholin-4-ylcarbonyl-phenyl)sulfonylpiperidine-4-carboxamide

Systemtic Name: 1-(4-methylsulfanyl-3-morpholin-4-ylcarbonyl-phenyl)sulfonylpiperidine-4-carboxamide Openeye Name: 1-[4-methylsulfanyl-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide CAS Name: 1-[4-(methylthio)-3-[4-morpholinyl(oxo)methyl]phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-[4-methylsulfanyl-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)-3-(morpholine-4-carbonyl)phenyl]sulfonylisonipecotamide Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N)C(=O)N3CCOCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N)C(=O)N3CCOCC3

InChI

InChI=1S/C18H25N3O5S2/c1-27-16-3-2-14(12-15(16)18(23)20-8-10-26-11-9-20)28(24,25)21-6-4-13(5-7-21)17(19)22/h2-3,12-13H,4-11H2,1H3,(H2,19,22)