2-[(4-but-3-enoxyphenyl)sulfonyl-[(4-imidazol-1-ylphenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-[(4-imidazol-1-ylphenyl)methyl]amino]ethanoic acid Openeye Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-[(4-imidazol-1-ylphenyl)methyl]amino]acetic acid CAS Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-[[4-(1-imidazolyl)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-[(4-imidazol-1-ylphenyl)methyl]amino]acetic acid Traditional Name: 2-[(4-but-3-enoxyphenyl)sulfonyl-(4-imidazol-1-ylbenzyl)amino]acetic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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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)N3C=CN=C3)CC(=O)O

Isomeric SMILES

C=CCCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)N3C=CN=C3)CC(=O)O

InChI

InChI=1S/C22H23N3O5S/c1-2-3-14-30-20-8-10-21(11-9-20)31(28,29)25(16-22(26)27)15-18-4-6-19(7-5-18)24-13-12-23-17-24/h2,4-13,17H,1,3,14-16H2,(H,26,27)