4-[(4,5-dimethyl-2-pentoxy-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-[(4,5-dimethyl-2-pentoxy-phenyl)sulfonylamino]benzoic acid Openeye Name: 4-[(4,5-dimethyl-2-pentoxy-phenyl)sulfonylamino]benzoic acid CAS Name: 4-[(4,5-dimethyl-2-pentoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[(4,5-dimethyl-2-pentoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[(2-amoxy-4,5-dimethyl-phenyl)sulfonylamino]benzoic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H25NO5S/c1-4-5-6-11-26-18-12-14(2)15(3)13-19(18)27(24,25)21-17-9-7-16(8-10-17)20(22)23/h7-10,12-13,21H,4-6,11H2,1-3H3,(H,22,23)