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

Systemtic Name: [5-(pyridin-2-ylmethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-(2-pyridylmethylsulfamoyl)-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(2-pyridinylmethylsulfamoyl)-1-naphthalenyl] ester IUPAC Name: [5-(pyridin-2-ylmethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(2-pyridylmethylsulfamoyl)-1-naphthyl] ester Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CC=C3S(=O)(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H20N2O5S2/c1-17-11-13-19(14-12-17)32(28,29)30-22-9-4-8-21-20(22)7-5-10-23(21)31(26,27)25-16-18-6-2-3-15-24-18/h2-15,25H,16H2,1H3