3-nitro-4-(3-phenylpropyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-nitro-4-(3-phenylpropyl)-5-sulfamoyl-benzoic acid Openeye Name: 3-nitro-4-(3-phenylpropyl)-5-sulfamoyl-benzoic acid CAS Name: 3-nitro-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid IUPAC Name: 3-nitro-4-(3-phenylpropyl)-5-sulfamoylbenzoic acid Traditional Name: 3-nitro-4-(3-phenylpropyl)-5-sulfamoyl-benzoic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c17-25(23,24)15-10-12(16(19)20)9-14(18(21)22)13(15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)(H2,17,23,24)