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

Systemtic Name: 3-[(3-butoxy-4-chloranyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(3-butoxy-4-chloro-phenyl)sulfonylamino]benzoic acid CAS Name: 3-[(3-butoxy-4-chlorophenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(3-butoxy-4-chlorophenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(3-butoxy-4-chloro-phenyl)sulfonylamino]benzoic acid Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO5S/c1-2-3-9-24-16-11-14(7-8-15(16)18)25(22,23)19-13-6-4-5-12(10-13)17(20)21/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)