N-[4-[[2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfamoyl]phenyl]ethanamide

Systemtic Name: N-[4-[[2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfamoyl]phenyl]ethanamide Openeye Name: N-[4-[[2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]sulfamoyl]phenyl]acetamide CAS Name: N-[4-[[2-(4-morpholin-4-iumylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfamoyl]phenyl]acetamide IUPAC Name: N-[4-[[2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfamoyl]phenyl]acetamide Traditional Name: N-[4-[[2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]sulfamoyl]phenyl]acetamide Formula: C23H28N5O4S2+ MolecularWeight: 502.62952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C3C4=C(CCCC4)SC3=NC(=N2)C[NH+]5CCOCC5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C3C4=C(CCCC4)SC3=NC(=N2)C[NH+]5CCOCC5

InChI

InChI=1S/C23H27N5O4S2/c1-15(29)24-16-6-8-17(9-7-16)34(30,31)27-22-21-18-4-2-3-5-19(18)33-23(21)26-20(25-22)14-28-10-12-32-13-11-28/h6-9H,2-5,10-14H2,1H3,(H,24,29)(H,25,26,27)/p+1