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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1N2CCNCC2)C3CCSC4=CC=CC=C34)NS(=O)(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1N2CCNCC2)C3CCSC4=CC=CC=C34)NS(=O)(=O)C

InChI

InChI=1S/C22H29N3O2S2/c1-3-16-20(24-29(2,26)27)9-8-19(22(16)25-13-11-23-12-14-25)17-10-15-28-21-7-5-4-6-18(17)21/h4-9,17,23-24H,3,10-15H2,1-2H3