2-[(2,4-dimethylphenyl)sulfonyl-propyl-amino]benzoic acid

Systemtic Name: 2-[(2,4-dimethylphenyl)sulfonyl-propyl-amino]benzoic acid Openeye Name: 2-[(2,4-dimethylphenyl)sulfonyl-propyl-amino]benzoic acid CAS Name: 2-[(2,4-dimethylphenyl)sulfonyl-propylamino]benzoic acid IUPAC Name: 2-[(2,4-dimethylphenyl)sulfonyl-propylamino]benzoic acid Traditional Name: 2-[(2,4-dimethylphenyl)sulfonyl-propyl-amino]benzoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)C)C

InChI

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