3-methyl-4-propoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CCN(CC2)CC3=CN=CC=C3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CCN(CC2)CC3=CN=CC=C3)C

InChI

InChI=1S/C22H31N3O3S/c1-3-13-28-22-7-6-21(14-18(22)2)29(26,27)24-16-19-8-11-25(12-9-19)17-20-5-4-10-23-15-20/h4-7,10,14-15,19,24H,3,8-9,11-13,16-17H2,1-2H3