2-[(2-butoxy-5-propan-2-yl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[(2-butoxy-5-propan-2-yl-phenyl)sulfonylamino]benzoic acid Openeye Name: 2-[(2-butoxy-5-isopropyl-phenyl)sulfonylamino]benzoic acid CAS Name: 2-[(2-butoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(2-butoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(2-butoxy-5-isopropyl-phenyl)sulfonylamino]benzoic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H25NO5S/c1-4-5-12-26-18-11-10-15(14(2)3)13-19(18)27(24,25)21-17-9-7-6-8-16(17)20(22)23/h6-11,13-14,21H,4-5,12H2,1-3H3,(H,22,23)