N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylsulfonylamino)pentanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylsulfonylamino)pentanamide Openeye Name: 2-(benzenesulfonamido)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: 2-(benzenesulfonamido)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: 2-(benzenesulfonamido)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: 2-(benzenesulfonamido)-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O5S2/c1-3-13(2)18(25-32(27,28)15-7-5-4-6-8-15)19(26)22-21-24-23-20(31-21)14-9-10-16-17(11-14)30-12-29-16/h4-11,13,18,25H,3,12H2,1-2H3,(H,22,24,26)