N-(4-aminocarbonylphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-carbamoylphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-carbamoylphenyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-carbamoylphenyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-carbamoylphenyl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H23N3O4S2/c1-28-17-6-8-18(9-7-17)29(26,27)23-12-10-15(11-13-23)20(25)22-16-4-2-14(3-5-16)19(21)24/h2-9,15H,10-13H2,1H3,(H2,21,24)(H,22,25)