2-[2-[[2-(4-methylphenyl)sulfonylphenyl]amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[[2-(4-methylphenyl)sulfonylphenyl]amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[[2-[2-(p-tolylsulfonyl)anilino]acetyl]amino]propanoic acid CAS Name: 2-[[2-[2-(4-methylphenyl)sulfonylanilino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2-(4-methylphenyl)sulfonylanilino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[[2-(2-tosylanilino)acetyl]amino]propionic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NCC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NCC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H24N2O5S/c1-17-11-13-19(14-12-17)32(30,31)22-10-6-5-9-20(22)25-16-23(27)26-21(24(28)29)15-18-7-3-2-4-8-18/h2-14,21,25H,15-16H2,1H3,(H,26,27)(H,28,29)