N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethyl-butanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethylbutanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethylbutanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,3-dimethyl-butyramide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C(C(=O)N(C)CC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25N3O5S2/c1-14(2)21(22(26)25(3)13-20-23-16-6-4-5-7-19(16)31-20)24-32(27,28)15-8-9-17-18(12-15)30-11-10-29-17/h4-9,12,14,21,24H,10-11,13H2,1-3H3