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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-15-12-16(2)20(17(3)13-15)28(26,27)24-10-6-19(7-11-24)21(25)23-14-18-4-8-22-9-5-18/h4-5,8-9,12-13,19H,6-7,10-11,14H2,1-3H3,(H,23,25)