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

Systemtic Name: 1-[2-chloranyl-5-[(2-nitrophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-chloro-5-[(2-nitrophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[2-chloro-5-[(2-nitroanilino)-oxomethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-chloro-5-[(2-nitrophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[2-chloro-5-[(2-nitrophenyl)carbamoyl]phenyl]sulfonylisonipecotic acid Formula: C19H18ClN3O7S MolecularWeight: 467.88012

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O7S/c20-14-6-5-13(18(24)21-15-3-1-2-4-16(15)23(27)28)11-17(14)31(29,30)22-9-7-12(8-10-22)19(25)26/h1-6,11-12H,7-10H2,(H,21,24)(H,25,26)