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

Systemtic Name: N-[(3R)-1-[[3-(2-hydroxyethyloxy)phenyl]methyl]piperidin-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-piperidyl]-4-methyl-benzenesulfonamide CAS Name: N-[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-piperidinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(3R)-1-[3-(2-hydroxyethoxy)benzyl]-3-piperidyl]-4-methyl-benzenesulfonamide Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCN(C2)CC3=CC(=CC=C3)OCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-17-7-9-21(10-8-17)28(25,26)22-19-5-3-11-23(16-19)15-18-4-2-6-20(14-18)27-13-12-24/h2,4,6-10,14,19,22,24H,3,5,11-13,15-16H2,1H3/t19-/m1/s1