1-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]piperidine-4-carboxamide CAS Name: 1-[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]isonipecotamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H27N3O4S2/c1-16-3-5-18(6-4-16)25(31(28,29)20-9-7-19(30-2)8-10-20)15-21(26)24-13-11-17(12-14-24)22(23)27/h3-10,17H,11-15H2,1-2H3,(H2,23,27)