(5-chloranyl-1-methyl-imidazol-2-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H20ClN3O5S/c1-21-16(19)12-20-17(21)13-27-18(23)7-4-14-2-5-15(6-3-14)28(24,25)22-8-10-26-11-9-22/h2-7,12H,8-11,13H2,1H3/b7-4+