N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(p-tolylsulfonyl)acetamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-2-tosyl-acetamide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC

InChI

InChI=1S/C22H26N2O4S3/c1-15-5-8-17(9-6-15)31(26,27)14-20(25)23-16-7-10-18-19(13-16)30-21(24-18)29-12-11-22(2,3)28-4/h5-10,13H,11-12,14H2,1-4H3,(H,23,25)