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

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(N=CC=C3)N(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(N=CC=C3)N(C)C

InChI

InChI=1S/C22H30N4O4S/c1-4-30-19-7-9-20(10-8-19)31(28,29)26-14-11-17(12-15-26)22(27)24-16-18-6-5-13-23-21(18)25(2)3/h5-10,13,17H,4,11-12,14-16H2,1-3H3,(H,24,27)