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

Systemtic Name: N-(4-acetamidophenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25N3O4S2/c1-15(25)22-17-3-5-18(6-4-17)23-21(26)16-11-13-24(14-12-16)30(27,28)20-9-7-19(29-2)8-10-20/h3-10,16H,11-14H2,1-2H3,(H,22,25)(H,23,26)