3-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[2-(2-hydroxyethylamino)-5-nitrophenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[2-(2-hydroxyethylamino)-5-nitrophenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[2-(2-hydroxyethylamino)-5-nitro-phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C16H17N3O7S/c1-10-2-3-11(16(21)22)8-15(10)27(25,26)18-14-9-12(19(23)24)4-5-13(14)17-6-7-20/h2-5,8-9,17-18,20H,6-7H2,1H3,(H,21,22)