3-[[2-bromanyl-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[2-bromanyl-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[2-bromo-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[2-bromo-5-[(3-nitroanilino)-oxomethyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[2-bromo-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[2-bromo-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Formula: C20H14BrN3O7S MolecularWeight: 520.31006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C20H14BrN3O7S/c21-17-8-7-12(19(25)22-14-4-2-6-16(11-14)24(28)29)10-18(17)32(30,31)23-15-5-1-3-13(9-15)20(26)27/h1-11,23H,(H,22,25)(H,26,27)