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

Systemtic Name: 4-[[5-azanyl-1-(2,4,6-trimethylphenyl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-1-(2,4,6-trimethylbenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-1-[oxo-(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-1-(2,4,6-trimethylbenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-amino-1-(2,4,6-trimethylbenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O3S/c1-10-8-11(2)15(12(3)9-10)16(25)24-17(19)22-18(23-24)21-13-4-6-14(7-5-13)28(20,26)27/h4-9H,1-3H3,(H2,20,26,27)(H3,19,21,22,23)