2-[[2,6-dinitro-4-[[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]amino]ethanoic acid

Systemtic Name: 2-[[2,6-dinitro-4-[[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]amino]ethanoic acid Openeye Name: 2-[2,6-dinitro-4-[[4-[(4-phenylthiazol-2-yl)sulfamoyl]phenyl]carbamoyl]anilino]acetic acid CAS Name: 2-[2,6-dinitro-4-[oxo-[4-[(4-phenyl-2-thiazolyl)sulfamoyl]anilino]methyl]anilino]acetic acid IUPAC Name: 2-[2,6-dinitro-4-[[4-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]carbamoyl]anilino]acetic acid Traditional Name: 2-[2,6-dinitro-4-[[4-[(4-phenylthiazol-2-yl)sulfamoyl]phenyl]carbamoyl]anilino]acetic acid Formula: C24H18N6O9S2 MolecularWeight: 598.56452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H18N6O9S2/c31-21(32)12-25-22-19(29(34)35)10-15(11-20(22)30(36)37)23(33)26-16-6-8-17(9-7-16)41(38,39)28-24-27-18(13-40-24)14-4-2-1-3-5-14/h1-11,13,25H,12H2,(H,26,33)(H,27,28)(H,31,32)