N-[[2-(dimethylamino)pyridin-3-yl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-1-mesitylsulfonyl-isonipecotamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3S/c1-16-13-17(2)21(18(3)14-16)31(29,30)27-11-8-19(9-12-27)23(28)25-15-20-7-6-10-24-22(20)26(4)5/h6-7,10,13-14,19H,8-9,11-12,15H2,1-5H3,(H,25,28)