N-[4-[4-[3-(2-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-[3-(2-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]phenyl]methanesulfonamide CAS Name: N-[4-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazino]phenyl]methanesulfonamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C)O

InChI

InChI=1S/C21H29N3O4S/c1-17-5-3-4-6-21(17)28-16-20(25)15-23-11-13-24(14-12-23)19-9-7-18(8-10-19)22-29(2,26)27/h3-10,20,22,25H,11-16H2,1-2H3