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

Systemtic Name: 3-methyl-4-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-3-(4-morpholinosulfonylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[(E)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[(E)-3-(4-morpholinosulfonylphenyl)acryloyl]amino]benzoic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H22N2O6S/c1-15-14-17(21(25)26)5-8-19(15)22-20(24)9-4-16-2-6-18(7-3-16)30(27,28)23-10-12-29-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,24)(H,25,26)/b9-4+