2-azanyl-4-[(4-chloranyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(4-chloranyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(4-chloro-6-isopropoxy-s-triazin-2-yl)amino]besylic acid Formula: C12H14ClN5O4S MolecularWeight: 359.78866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl

Isomeric SMILES

CC(C)OC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl

InChI

InChI=1S/C12H14ClN5O4S/c1-6(2)22-12-17-10(13)16-11(18-12)15-7-3-4-9(8(14)5-7)23(19,20)21/h3-6H,14H2,1-2H3,(H,19,20,21)(H,15,16,17,18)