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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H20ClNO7S MolecularWeight: 465.904

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H20ClNO7S/c22-18-11-16(12-19-21(18)30-14-29-19)13-28-20(24)6-3-15-1-4-17(5-2-15)31(25,26)23-7-9-27-10-8-23/h1-6,11-12H,7-10,13-14H2/b6-3+