4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoyl-benzoic acid Formula: C15H13ClN2O6S MolecularWeight: 384.79152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])Cl

InChI

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