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

Systemtic Name: 2-[5-azanyl-4-(4-tert-butylphenyl)sulfonyl-1,2,3-triazol-1-yl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[5-amino-4-(4-tert-butylphenyl)sulfonyl-triazol-1-yl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[5-amino-4-(4-tert-butylphenyl)sulfonyl-1-triazolyl]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[5-amino-4-(4-tert-butylphenyl)sulfonyltriazol-1-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[5-amino-4-(4-tert-butylphenyl)sulfonyl-triazol-1-yl]-N-(4-chlorophenyl)acetamide Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)CC(=O)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)CC(=O)NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C20H22ClN5O3S/c1-20(2,3)13-4-10-16(11-5-13)30(28,29)19-18(22)26(25-24-19)12-17(27)23-15-8-6-14(21)7-9-15/h4-11H,12,22H2,1-3H3,(H,23,27)