4-[2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]propyl]benzoic acid

Systemtic Name: 4-[2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]propyl]benzoic acid Openeye Name: 4-[2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]propyl]benzoic acid CAS Name: 4-[2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]propyl]benzoic acid IUPAC Name: 4-[2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]propyl]benzoic acid Traditional Name: 4-[2-[[2-[methyl(tosyl)amino]acetyl]amino]propyl]benzoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(C)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(C)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H24N2O5S/c1-14-4-10-18(11-5-14)28(26,27)22(3)13-19(23)21-15(2)12-16-6-8-17(9-7-16)20(24)25/h4-11,15H,12-13H2,1-3H3,(H,21,23)(H,24,25)