2-[[3-[(2-methyl-5-nitro-phenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[3-[(2-methyl-5-nitro-phenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-[(2-methyl-5-nitro-phenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-[(2-methyl-5-nitro-phenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Formula: C20H17N3O8S2 MolecularWeight: 491.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H17N3O8S2/c1-13-9-10-15(23(26)27)12-19(13)33(30,31)21-14-5-4-6-16(11-14)32(28,29)22-18-8-3-2-7-17(18)20(24)25/h2-12,21-22H,1H3,(H,24,25)