4-bromanyl-N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-[(isovalerylamino)carbamoyl]phenyl]benzenesulfonamide Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CC(=O)NNC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrN3O4S/c1-12(2)10-17(23)20-21-18(24)13-4-3-5-15(11-13)22-27(25,26)16-8-6-14(19)7-9-16/h3-9,11-12,22H,10H2,1-2H3,(H,20,23)(H,21,24)