N-[4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[[[2-(4-bromophenoxy)acetyl]amino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[[[2-(4-bromophenoxy)acetyl]amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[[[2-(4-bromophenoxy)acetyl]amino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide Formula: C21H17BrN4O7S MolecularWeight: 549.35128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H17BrN4O7S/c22-15-6-10-18(11-7-15)33-13-20(27)23-24-21(28)14-4-8-16(9-5-14)25-34(31,32)19-3-1-2-17(12-19)26(29)30/h1-12,25H,13H2,(H,23,27)(H,24,28)