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

Systemtic Name: 1-(4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-phenyl)sulfonylpiperidine-4-carboxamide Openeye Name: 1-[4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide CAS Name: 1-[4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-[4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)-3-(pyrrolidine-1-carbonyl)phenyl]sulfonylisonipecotamide Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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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)N3CCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N)C(=O)N3CCCC3

InChI

InChI=1S/C18H25N3O4S2/c1-26-16-5-4-14(12-15(16)18(23)20-8-2-3-9-20)27(24,25)21-10-6-13(7-11-21)17(19)22/h4-5,12-13H,2-3,6-11H2,1H3,(H2,19,22)