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

Systemtic Name: N-[6-(dimethylamino)pyridin-3-yl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[6-(dimethylamino)-3-pyridyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[6-(dimethylamino)-3-pyridinyl]-1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[6-(dimethylamino)pyridin-3-yl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[6-(dimethylamino)-3-pyridyl]-1-(2,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=C(C=C3)N(C)C)C

InChI

InChI=1S/C21H28N4O3S/c1-15-5-7-19(16(2)13-15)29(27,28)25-11-9-17(10-12-25)21(26)23-18-6-8-20(22-14-18)24(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,26)