3-[(2-butoxy-4-methyl-5-propan-2-yl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(2-butoxy-4-methyl-5-propan-2-yl-phenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(2-butoxy-5-isopropyl-4-methyl-phenyl)sulfonylamino]benzoic acid CAS Name: 3-[(2-butoxy-4-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(2-butoxy-4-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(2-butoxy-5-isopropyl-4-methyl-phenyl)sulfonylamino]benzoic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C21H27NO5S/c1-5-6-10-27-19-11-15(4)18(14(2)3)13-20(19)28(25,26)22-17-9-7-8-16(12-17)21(23)24/h7-9,11-14,22H,5-6,10H2,1-4H3,(H,23,24)