4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]ethyl]benzoic acid Formula: C15H13ClN2O6S MolecularWeight: 384.79152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H13ClN2O6S/c16-13-6-5-12(9-14(13)18(21)22)25(23,24)17-8-7-10-1-3-11(4-2-10)15(19)20/h1-6,9,17H,7-8H2,(H,19,20)