4-bromanyl-N-[4-[(pentanoylamino)carbamoyl]phenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[4-[(pentanoylamino)carbamoyl]phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[4-[(pentanoylamino)carbamoyl]phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[4-[oxo-(1-oxopentylhydrazo)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[4-[(pentanoylamino)carbamoyl]phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[4-[(valerylamino)carbamoyl]phenyl]benzenesulfonamide Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O4S/c1-2-3-4-17(23)20-21-18(24)13-5-9-15(10-6-13)22-27(25,26)16-11-7-14(19)8-12-16/h5-12,22H,2-4H2,1H3,(H,20,23)(H,21,24)