3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[[[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[(4,6-dimethyl-s-triazin-2-yl)carbamoylsulfamoyl]-1-methyl-indole-2-carboxylic acid Formula: C16H16N6O5S MolecularWeight: 404.40044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(N(C3=CC=CC=C32)C)C(=O)O)C

Isomeric SMILES

CC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(N(C3=CC=CC=C32)C)C(=O)O)C

InChI

InChI=1S/C16H16N6O5S/c1-8-17-9(2)19-15(18-8)20-16(25)21-28(26,27)13-10-6-4-5-7-11(10)22(3)12(13)14(23)24/h4-7H,1-3H3,(H,23,24)(H2,17,18,19,20,21,25)