2-[[3-[methyl-(4-methylphenyl)sulfonyl-amino]pyridin-4-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-[methyl-(4-methylphenyl)sulfonyl-amino]pyridin-4-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-[methyl(p-tolylsulfonyl)amino]-4-pyridyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-[methyl-(4-methylphenyl)sulfonylamino]-4-pyridinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-[methyl-(4-methylphenyl)sulfonylamino]pyridin-4-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-[methyl(tosyl)amino]-4-pyridyl]amino]-3-phenyl-propionic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-16-8-10-18(11-9-16)30(28,29)25(2)21-15-23-13-12-19(21)24-20(22(26)27)14-17-6-4-3-5-7-17/h3-13,15,20H,14H2,1-2H3,(H,23,24)(H,26,27)