1-[3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]propyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]propyl]piperidine-4-carboxamide Openeye Name: 1-[3-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]propyl]piperidine-4-carboxamide CAS Name: 1-[3-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]propyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]propyl]piperidine-4-carboxamide Traditional Name: 1-[3-[3-(N-tosylanilino)propanoylamino]propyl]isonipecotamide Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCCCN2CCC(CC2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCCCN2CCC(CC2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O4S/c1-20-8-10-23(11-9-20)34(32,33)29(22-6-3-2-4-7-22)19-14-24(30)27-15-5-16-28-17-12-21(13-18-28)25(26)31/h2-4,6-11,21H,5,12-19H2,1H3,(H2,26,31)(H,27,30)