methanesulfonic acid; methyl 2-[carbamimidoyl-(2-methoxycarbonylphenyl)sulfonyl-sulfamoyl]benzoate

Systemtic Name: methanesulfonic acid; methyl 2-[carbamimidoyl-(2-methoxycarbonylphenyl)sulfonyl-sulfamoyl]benzoate Openeye Name: methanesulfonic acid; methyl 2-[carbamimidoyl-(2-methoxycarbonylphenyl)sulfonyl-sulfamoyl]benzoate CAS Name: 2-[carbamimidoyl-(2-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoic acid methyl ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; methyl 2-[carbamimidoyl-(2-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate Traditional Name: 2-[amidino-(2-carbomethoxyphenyl)sulfonyl-sulfamoyl]benzoic acid methyl ester; mesylic acid Formula: C18H21N3O11S3 MolecularWeight: 551.56784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N(C(=N)N)S(=O)(=O)C2=CC=CC=C2C(=O)OC.CS(=O)(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N(C(=N)N)S(=O)(=O)C2=CC=CC=C2C(=O)OC.CS(=O)(=O)O

InChI

InChI=1S/C17H17N3O8S2.CH4O3S/c1-27-15(21)11-7-3-5-9-13(11)29(23,24)20(17(18)19)30(25,26)14-10-6-4-8-12(14)16(22)28-2;1-5(2,3)4/h3-10H,1-2H3,(H3,18,19);1H3,(H,2,3,4)