2-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(4-morpholinosulfonylphenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(4-morpholinosulfonylphenyl)acryloyl]amino]terephthalic acid Formula: C21H20N2O8S MolecularWeight: 460.4571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H20N2O8S/c24-19(22-18-13-15(20(25)26)4-7-17(18)21(27)28)8-3-14-1-5-16(6-2-14)32(29,30)23-9-11-31-12-10-23/h1-8,13H,9-12H2,(H,22,24)(H,25,26)(H,27,28)/b8-3+