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

Systemtic Name: N-pyridin-4-yl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-pyridyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-pyridin-4-yl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-pyridin-4-yl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-pyridyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=NC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=NC=C3)C)C

InChI

InChI=1S/C21H27N3O3S/c1-14-13-15(2)17(4)20(16(14)3)28(26,27)24-11-7-18(8-12-24)21(25)23-19-5-9-22-10-6-19/h5-6,9-10,13,18H,7-8,11-12H2,1-4H3,(H,22,23,25)