2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-butanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-methyl-butyramide Formula: C17H22N4O5S3 MolecularWeight: 458.57538

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H22N4O5S3/c1-4-27-17-20-19-16(28-17)18-15(22)14(10(2)3)21-29(23,24)11-5-6-12-13(9-11)26-8-7-25-12/h5-6,9-10,14,21H,4,7-8H2,1-3H3,(H,18,19,22)