N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloranyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloranyl-5-methylsulfonyl-benzamide Openeye Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2-chloro-5-methylsulfonyl-benzamide CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-2-chloro-5-methylsulfonylbenzamide IUPAC Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloro-5-methylsulfonylbenzamide Traditional Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2-chloro-5-mesyl-benzamide Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H21ClN2O3S2/c1-21(2,3)14-7-5-13(6-8-14)18-12-28-20(23-18)24-19(25)16-11-15(29(4,26)27)9-10-17(16)22/h5-12H,1-4H3,(H,23,24,25)