2-[5-azanyl-4-(4-tert-butylphenyl)sulfonyl-1,2,3-triazol-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[5-azanyl-4-(4-tert-butylphenyl)sulfonyl-1,2,3-triazol-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[5-amino-4-(4-tert-butylphenyl)sulfonyl-triazol-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[5-amino-4-(4-tert-butylphenyl)sulfonyl-1-triazolyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[5-amino-4-(4-tert-butylphenyl)sulfonyltriazol-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[5-amino-4-(4-tert-butylphenyl)sulfonyl-triazol-1-yl]-N-(o-tolyl)acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)N

InChI

InChI=1S/C21H25N5O3S/c1-14-7-5-6-8-17(14)23-18(27)13-26-19(22)20(24-25-26)30(28,29)16-11-9-15(10-12-16)21(2,3)4/h5-12H,13,22H2,1-4H3,(H,23,27)