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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C)O

InChI

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