3-[(4-butoxy-3-methyl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(4-butoxy-3-methyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(4-butoxy-3-methyl-phenyl)sulfonylamino]benzoic acid CAS Name: 3-[(4-butoxy-3-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(4-butoxy-3-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(4-butoxy-3-methyl-phenyl)sulfonylamino]benzoic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-3-4-10-24-17-9-8-16(11-13(17)2)25(22,23)19-15-7-5-6-14(12-15)18(20)21/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,20,21)