2-chloranyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-5-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-5-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-isobutyl-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-5-methylsulfonylbenzamide Traditional Name: 2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-isobutyl-5-mesyl-benzamide Formula: C21H23ClN2O3S2 MolecularWeight: 451.00192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC(C)C)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC(C)C)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C21H23ClN2O3S2/c1-12(2)11-24(21-23-18-9-13(3)8-14(4)19(18)28-21)20(25)16-10-15(29(5,26)27)6-7-17(16)22/h6-10,12H,11H2,1-5H3