N-(2-pyridin-3-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-pyridin-3-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-pyridyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3-pyridinyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-pyridin-3-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[2-(3-pyridyl)ethyl]isonipecotamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CN=CC=C3)C

InChI

InChI=1S/C22H29N3O3S/c1-16-13-17(2)21(18(3)14-16)29(27,28)25-11-7-20(8-12-25)22(26)24-10-6-19-5-4-9-23-15-19/h4-5,9,13-15,20H,6-8,10-12H2,1-3H3,(H,24,26)