(2-chloranyl-5-methyl-phenyl) (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) (E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (2-chloro-5-methyl-phenyl) (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid (2-chloro-5-methyl-phenyl) ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6S/c1-15-3-6-17(22)19(13-15)29-21(24)8-5-16-4-7-18(27-2)20(14-16)30(25,26)23-9-11-28-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b8-5+