sulfooxymethyl 4-[(4-methyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfinate

Systemtic Name: sulfooxymethyl 4-[(4-methyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfinate Openeye Name: sulfooxymethyl 4-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfinate CAS Name: 4-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfinic acid sulfooxymethyl ester IUPAC Name: sulfooxymethyl 4-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfinate Traditional Name: 4-[(4-anilino-6-methyl-s-triazin-2-yl)amino]benzenesulfinic acid sulfoxymethyl ester Formula: C17H17N5O6S2 MolecularWeight: 451.47678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)OCOS(=O)(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)OCOS(=O)(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C17H17N5O6S2/c1-12-18-16(20-13-5-3-2-4-6-13)22-17(19-12)21-14-7-9-15(10-8-14)29(23)27-11-28-30(24,25)26/h2-10H,11H2,1H3,(H,24,25,26)(H2,18,19,20,21,22)