[4-[(4-azanyl-3-methyl-phenyl)-(1,2,4-triazol-1-ylamino)methyl]-2-methyl-phenyl] sulfamate

Systemtic Name: [4-[(4-azanyl-3-methyl-phenyl)-(1,2,4-triazol-1-ylamino)methyl]-2-methyl-phenyl] sulfamate Openeye Name: [4-[(4-amino-3-methyl-phenyl)-(1,2,4-triazol-1-ylamino)methyl]-2-methyl-phenyl] sulfamate CAS Name: sulfamic acid [4-[(4-amino-3-methylphenyl)-(1,2,4-triazol-1-ylamino)methyl]-2-methylphenyl] ester IUPAC Name: [4-[(4-amino-3-methylphenyl)-(1,2,4-triazol-1-ylamino)methyl]-2-methylphenyl] sulfamate Traditional Name: sulfamic acid [4-[(4-amino-3-methyl-phenyl)-(1,2,4-triazol-1-ylamino)methyl]-2-methyl-phenyl] ester Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)OS(=O)(=O)N)C)NN3C=NC=N3)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)OS(=O)(=O)N)C)NN3C=NC=N3)N

InChI

InChI=1S/C17H20N6O3S/c1-11-7-13(3-5-15(11)18)17(22-23-10-20-9-21-23)14-4-6-16(12(2)8-14)26-27(19,24)25/h3-10,17,22H,18H2,1-2H3,(H2,19,24,25)