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

Systemtic Name: N-(2-pyridin-2-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-pyridyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-pyridinyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-pyridin-2-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[2-(2-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=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3)C

InChI

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