[5-(1H-benzimidazol-2-ylmethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(1H-benzimidazol-2-ylmethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-(1H-benzimidazol-2-ylmethylsulfamoyl)-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(1H-benzimidazol-2-ylmethylsulfamoyl)-1-naphthalenyl] ester IUPAC Name: [5-(1H-benzimidazol-2-ylmethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(1H-benzimidazol-2-ylmethylsulfamoyl)-1-naphthyl] ester Formula: C25H21N3O5S2 MolecularWeight: 507.58134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CC=C3S(=O)(=O)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CC=C3S(=O)(=O)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H21N3O5S2/c1-17-12-14-18(15-13-17)35(31,32)33-23-10-4-7-20-19(23)6-5-11-24(20)34(29,30)26-16-25-27-21-8-2-3-9-22(21)28-25/h2-15,26H,16H2,1H3,(H,27,28)