N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[ethyl-(3-methylphenyl)amino]propyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(N-ethyl-3-methylanilino)propyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(N-ethyl-3-methylanilino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: 1-esyl-N-[3-(N-ethyl-3-methyl-anilino)propyl]isonipecotamide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)CC)C2=CC=CC(=C2)C

Isomeric SMILES

CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)CC)C2=CC=CC(=C2)C

InChI

InChI=1S/C20H33N3O3S/c1-4-22(19-9-6-8-17(3)16-19)13-7-12-21-20(24)18-10-14-23(15-11-18)27(25,26)5-2/h6,8-9,16,18H,4-5,7,10-15H2,1-3H3,(H,21,24)