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

Systemtic Name: (3R)-N-(pyridin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(4-pyridylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-(pyridin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(pyridin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-1-mesitylsulfonyl-N-(4-pyridylmethyl)nipecotamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCC3=CC=NC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-15-11-16(2)20(17(3)12-15)28(26,27)24-10-4-5-19(14-24)21(25)23-13-18-6-8-22-9-7-18/h6-9,11-12,19H,4-5,10,13-14H2,1-3H3,(H,23,25)/t19-/m1/s1