2-[(4-but-3-enoxyphenyl)sulfonyl-[(4-morpholin-4-ylphenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-[(4-morpholin-4-ylphenyl)methyl]amino]ethanoic acid Openeye Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-[(4-morpholinophenyl)methyl]amino]acetic acid CAS Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-[[4-(4-morpholinyl)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-[(4-morpholin-4-ylphenyl)methyl]amino]acetic acid Traditional Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-(4-morpholinobenzyl)amino]acetic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)N3CCOCC3)CC(=O)O

Isomeric SMILES

C=CCCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)N3CCOCC3)CC(=O)O

InChI

InChI=1S/C23H28N2O6S/c1-2-3-14-31-21-8-10-22(11-9-21)32(28,29)25(18-23(26)27)17-19-4-6-20(7-5-19)24-12-15-30-16-13-24/h2,4-11H,1,3,12-18H2,(H,26,27)