4-[butyl-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 4-[butyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 4-[butyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 4-[butyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[butyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[butyl(tosyl)amino]benzoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H21NO4S/c1-3-4-13-19(16-9-7-15(8-10-16)18(20)21)24(22,23)17-11-5-14(2)6-12-17/h5-12H,3-4,13H2,1-2H3,(H,20,21)