4-ethoxy-3,5-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-3,5-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Openeye Name: 4-ethoxy-3,5-dimethyl-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide CAS Name: 4-ethoxy-3,5-dimethyl-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-ethoxy-3,5-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Traditional Name: 4-ethoxy-3,5-dimethyl-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC2CCN(CC2)CC3=CN=CC=C3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC2CCN(CC2)CC3=CN=CC=C3)C

InChI

InChI=1S/C22H31N3O3S/c1-4-28-22-17(2)12-21(13-18(22)3)29(26,27)24-15-19-7-10-25(11-8-19)16-20-6-5-9-23-14-20/h5-6,9,12-14,19,24H,4,7-8,10-11,15-16H2,1-3H3