2-chloranyl-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-4-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-4-methylsulfonylbenzamide Traditional Name: 2-chloro-4-mesyl-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H23ClN2O4S3 MolecularWeight: 499.06632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C21H23ClN2O4S3/c1-21(2,28-3)9-10-29-20-24-17-8-5-13(11-18(17)30-20)23-19(25)15-7-6-14(12-16(15)22)31(4,26)27/h5-8,11-12H,9-10H2,1-4H3,(H,23,25)