1-[4-(4-methylphenyl)sulfonyl-3-(propanoylamino)phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-3-(propanoylamino)phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(propanoylamino)-4-(p-tolylsulfonyl)benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-3-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-3-(propanoylamino)benzoyl]piperidine-4-carboxamide Traditional Name: 1-(3-propionamido-4-tosyl-benzoyl)isonipecotamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H27N3O5S/c1-3-21(27)25-19-14-17(23(29)26-12-10-16(11-13-26)22(24)28)6-9-20(19)32(30,31)18-7-4-15(2)5-8-18/h4-9,14,16H,3,10-13H2,1-2H3,(H2,24,28)(H,25,27)