(E)-3-[4-[bis(cyanomethyl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[bis(cyanomethyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[bis(cyanomethyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[bis(cyanomethyl)sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[bis(cyanomethyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[bis(cyanomethyl)sulfamoyl]phenyl]acrylic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)S(=O)(=O)N(CC#N)CC#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)S(=O)(=O)N(CC#N)CC#N

InChI

InChI=1S/C13H11N3O4S/c14-7-9-16(10-8-15)21(19,20)12-4-1-11(2-5-12)3-6-13(17)18/h1-6H,9-10H2,(H,17,18)/b6-3+