N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-[(isovalerylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide 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)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CC(=O)NNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

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