(E)-3-[2-bromanyl-4-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonyl-amino]methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-bromanyl-4-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonyl-amino]methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-bromo-4-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonyl-amino]methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-bromo-4-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-bromo-4-[[(4-cyanophenyl)methyl-(2-methoxyphenyl)sulfonylamino]methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-bromo-4-[[(4-cyanobenzyl)-(2-methoxyphenyl)sulfonyl-amino]methyl]phenyl]acrylic acid Formula: C25H21BrN2O5S MolecularWeight: 541.41364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)N(CC2=CC=C(C=C2)C#N)CC3=CC(=C(C=C3)C=CC(=O)O)Br

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)N(CC2=CC=C(C=C2)C#N)CC3=CC(=C(C=C3)/C=C/C(=O)O)Br

InChI

InChI=1S/C25H21BrN2O5S/c1-33-23-4-2-3-5-24(23)34(31,32)28(16-19-8-6-18(15-27)7-9-19)17-20-10-11-21(22(26)14-20)12-13-25(29)30/h2-14H,16-17H2,1H3,(H,29,30)/b13-12+