3-[[4,6-bis(methylsulfonyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 3-[[4,6-bis(methylsulfonyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 3-[[4,6-bis(methylsulfonyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 3-[[4,6-bis(methylsulfonyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 3-[[4,6-bis(methylsulfonyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 3-[(4,6-dimesyl-s-triazin-2-yl)amino]besylic acid Formula: C11H12N4O7S3 MolecularWeight: 408.43058

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=NC(=N1)NC2=CC(=CC=C2)S(=O)(=O)O)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=NC(=NC(=N1)NC2=CC(=CC=C2)S(=O)(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H12N4O7S3/c1-23(16,17)10-13-9(14-11(15-10)24(2,18)19)12-7-4-3-5-8(6-7)25(20,21)22/h3-6H,1-2H3,(H,20,21,22)(H,12,13,14,15)