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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (3-morpholinosulfonylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7S/c23-21(7-5-16-4-6-19-20(13-16)29-15-28-19)27-14-17-2-1-3-18(12-17)30(24,25)22-8-10-26-11-9-22/h1-7,12-13H,8-11,14-15H2/b7-5+