3-[[2,5-dimethyl-3-(phenylsulfonyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[2,5-dimethyl-3-(phenylsulfonyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[3-(benzenesulfonyl)-2,5-dimethyl-phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[3-(benzenesulfonyl)-2,5-dimethylphenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[3-(benzenesulfonyl)-2,5-dimethylphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[(3-besyl-2,5-dimethyl-phenyl)sulfonylamino]benzoic acid Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO6S2/c1-14-11-19(29(25,26)18-9-4-3-5-10-18)15(2)20(12-14)30(27,28)22-17-8-6-7-16(13-17)21(23)24/h3-13,22H,1-2H3,(H,23,24)