N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-[(isovalerylamino)carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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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)OCCCO3

Isomeric SMILES

CC(C)CC(=O)NNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H25N3O6S/c1-14(2)11-20(25)22-23-21(26)15-5-3-6-16(12-15)24-31(27,28)17-7-8-18-19(13-17)30-10-4-9-29-18/h3,5-8,12-14,24H,4,9-11H2,1-2H3,(H,22,25)(H,23,26)