(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H15ClN6O4S MolecularWeight: 434.8568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C17H15ClN6O4S/c18-12-7-6-10(8-13(12)29(20,26)27)15(25)28-9-14-22-16(19)24-17(23-14)21-11-4-2-1-3-5-11/h1-8H,9H2,(H2,20,26,27)(H3,19,21,22,23,24)