N-[2-[1-[4-(3,4-dihydro-2H-thiochromen-4-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide

Systemtic Name: N-[2-[1-[4-(3,4-dihydro-2H-thiochromen-4-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide Openeye Name: N-[2-[1-(4-thiochroman-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide CAS Name: N-[2-[1-[4-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-piperazinyl]ethyl]phenyl]methanesulfonamide IUPAC Name: N-[2-[1-[4-(3,4-dihydro-2H-thiochromen-4-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide Traditional Name: N-[2-[1-(4-thiochroman-4-ylpiperazino)ethyl]phenyl]methanesulfonamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1NS(=O)(=O)C)N2CCN(CC2)C3CCSC4=CC=CC=C34

Isomeric SMILES

CC(C1=CC=CC=C1NS(=O)(=O)C)N2CCN(CC2)C3CCSC4=CC=CC=C34

InChI

InChI=1S/C22H29N3O2S2/c1-17(18-7-3-5-9-20(18)23-29(2,26)27)24-12-14-25(15-13-24)21-11-16-28-22-10-6-4-8-19(21)22/h3-10,17,21,23H,11-16H2,1-2H3