N-(pyridin-2-ylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(pyridin-2-ylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-pyridylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-pyridinylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(pyridin-2-ylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-pyridylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3)C)C

InChI

InChI=1S/C22H29N3O3S/c1-15-13-16(2)18(4)21(17(15)3)29(27,28)25-11-8-19(9-12-25)22(26)24-14-20-7-5-6-10-23-20/h5-7,10,13,19H,8-9,11-12,14H2,1-4H3,(H,24,26)