3-nitro-4-phenethyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-nitro-4-phenethyl-5-sulfamoyl-benzoic acid Openeye Name: 3-nitro-4-phenethyl-5-sulfamoyl-benzoic acid CAS Name: 3-nitro-4-phenethyl-5-sulfamoylbenzoic acid IUPAC Name: 3-nitro-4-phenethyl-5-sulfamoylbenzoic acid Traditional Name: 3-nitro-4-phenethyl-5-sulfamoyl-benzoic acid Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/c16-24(22,23)14-9-11(15(18)19)8-13(17(20)21)12(14)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)(H2,16,22,23)