2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butyramide Formula: C21H23N3O5S3 MolecularWeight: 493.61942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C(C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O5S3/c1-12(2)19(20(25)22-13-4-6-15-18(10-13)31-21(23-15)30-3)24-32(26,27)14-5-7-16-17(11-14)29-9-8-28-16/h4-7,10-12,19,24H,8-9H2,1-3H3,(H,22,25)