1-[2-bromanyl-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-bromanyl-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-bromo-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[2-bromo-5-[(3-nitroanilino)-oxomethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-bromo-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[2-bromo-5-[(3-nitrophenyl)carbamoyl]phenyl]sulfonylisonipecotic acid Formula: C19H18BrN3O7S MolecularWeight: 512.33112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H18BrN3O7S/c20-16-5-4-13(18(24)21-14-2-1-3-15(11-14)23(27)28)10-17(16)31(29,30)22-8-6-12(7-9-22)19(25)26/h1-5,10-12H,6-9H2,(H,21,24)(H,25,26)