2-methoxy-5-[[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[(E)-3-(4-morpholinosulfonylphenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(E)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[(E)-3-(4-morpholinosulfonylphenyl)acryloyl]amino]methyl]benzoic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C22H24N2O7S/c1-30-20-8-4-17(14-19(20)22(26)27)15-23-21(25)9-5-16-2-6-18(7-3-16)32(28,29)24-10-12-31-13-11-24/h2-9,14H,10-13,15H2,1H3,(H,23,25)(H,26,27)/b9-5+