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

Systemtic Name: 4-propoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Openeye Name: 4-propoxy-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide CAS Name: 4-propoxy-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-propoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Traditional Name: 4-propoxy-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-2-14-27-20-5-7-21(8-6-20)28(25,26)23-16-18-9-12-24(13-10-18)17-19-4-3-11-22-15-19/h3-8,11,15,18,23H,2,9-10,12-14,16-17H2,1H3