(E)-3-[4-methoxy-3-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-3-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-3-[[4-(phenylcarbamoyl)-1-piperidyl]sulfonyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[4-[anilino(oxo)methyl]-1-piperidinyl]sulfonyl]-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-3-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-3-[4-(phenylcarbamoyl)piperidino]sulfonyl-phenyl]acrylic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O6S/c1-30-19-9-7-16(8-10-21(25)26)15-20(19)31(28,29)24-13-11-17(12-14-24)22(27)23-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,23,27)(H,25,26)/b10-8+