(E)-2-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-2-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[4-(p-tolylsulfonylcarbamoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-(3-pyridyl)-2-[4-(tosylcarbamoylamino)phenyl]hex-5-enoic acid Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(CCC=CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(CC/C=C/C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C25H25N3O5S/c1-18-8-14-22(15-9-18)34(32,33)28-25(31)27-21-12-10-20(11-13-21)23(24(29)30)7-3-2-5-19-6-4-16-26-17-19/h2,4-6,8-17,23H,3,7H2,1H3,(H,29,30)(H2,27,28,31)/b5-2+