N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propyl-phenyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propyl-phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propyl-phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-4-propylphenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propylphenyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-[3-(methylthio)piperazino]-4-propyl-phenyl]-1-phenyl-methanesulfonamide Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C21H29N3O2S2/c1-3-7-17-10-11-19(20(14-17)24-13-12-22-21(15-24)27-2)23-28(25,26)16-18-8-5-4-6-9-18/h4-6,8-11,14,21-23H,3,7,12-13,15-16H2,1-2H3