N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide Traditional Name: 3-[(isovalerylamino)carbamoyl]-N-piperonyl-benzenesulfonamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23N3O6S/c1-13(2)8-19(24)22-23-20(25)15-4-3-5-16(10-15)30(26,27)21-11-14-6-7-17-18(9-14)29-12-28-17/h3-7,9-10,13,21H,8,11-12H2,1-2H3,(H,22,24)(H,23,25)