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

Systemtic Name: N-[phenyl(pyridin-2-yl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[phenyl(2-pyridyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[phenyl(2-pyridinyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[phenyl(pyridin-2-yl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[phenyl(2-pyridyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)C)C

InChI

InChI=1S/C28H33N3O3S/c1-19-18-20(2)22(4)27(21(19)3)35(33,34)31-16-13-24(14-17-31)28(32)30-26(23-10-6-5-7-11-23)25-12-8-9-15-29-25/h5-12,15,18,24,26H,13-14,16-17H2,1-4H3,(H,30,32)