N-[[(3R)-1-[[3-(2-hydroxyethyloxy)phenyl]methyl]piperidin-3-yl]methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[(3R)-1-[[3-(2-hydroxyethyloxy)phenyl]methyl]piperidin-3-yl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-piperidyl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-piperidinyl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[[(3R)-1-[3-(2-hydroxyethoxy)benzyl]-3-piperidyl]methyl]-4-methyl-benzenesulfonamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)CC3=CC(=CC=C3)OCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H]2CCCN(C2)CC3=CC(=CC=C3)OCCO

InChI

InChI=1S/C22H30N2O4S/c1-18-7-9-22(10-8-18)29(26,27)23-15-20-5-3-11-24(17-20)16-19-4-2-6-21(14-19)28-13-12-25/h2,4,6-10,14,20,23,25H,3,5,11-13,15-17H2,1H3/t20-/m0/s1