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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CNS(=O)(=O)C(C2=CC=CC=C2)N3CCNCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CNS(=O)(=O)C(C2=CC=CC=C2)N3CCNCC3)O

InChI

InChI=1S/C21H29N3O4S/c1-17-6-5-9-20(14-17)28-16-19(25)15-23-29(26,27)21(18-7-3-2-4-8-18)24-12-10-22-11-13-24/h2-9,14,19,21-23,25H,10-13,15-16H2,1H3