4-[[5-azanyl-1-(2,6-dimethylphenyl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-1-(2,6-dimethylphenyl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-1-(2,6-dimethylbenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-1-[(2,6-dimethylphenyl)-oxomethyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-1-(2,6-dimethylbenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-amino-1-(2,6-dimethylbenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N

InChI

InChI=1S/C17H18N6O3S/c1-10-4-3-5-11(2)14(10)15(24)23-16(18)21-17(22-23)20-12-6-8-13(9-7-12)27(19,25)26/h3-9H,1-2H3,(H2,19,25,26)(H3,18,20,21,22)