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

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O5S2/c1-12(2)19(20(25)23-21-22-15-6-4-13(3)10-18(15)30-21)24-31(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,22,23,25)/t19-/m0/s1