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

Systemtic Name: 4-methoxy-3,5-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-3,5-dimethyl-N-[[1-(4-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide CAS Name: 4-methoxy-3,5-dimethyl-N-[[1-(pyridin-4-ylmethyl)-4-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-3,5-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-3,5-dimethyl-N-[[1-(4-pyridylmethyl)-4-piperidyl]methyl]benzenesulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NCC2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NCC2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H29N3O3S/c1-16-12-20(13-17(2)21(16)27-3)28(25,26)23-14-18-6-10-24(11-7-18)15-19-4-8-22-9-5-19/h4-5,8-9,12-13,18,23H,6-7,10-11,14-15H2,1-3H3