1,3-benzodioxol-5-yl 3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: 1,3-benzodioxol-5-yl 3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: 3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid 1,3-benzodioxol-5-yl ester Formula: C21H21NO8S MolecularWeight: 447.45834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21NO8S/c1-26-18-5-2-15(12-20(18)31(24,25)22-8-10-27-11-9-22)3-7-21(23)30-16-4-6-17-19(13-16)29-14-28-17/h2-7,12-13H,8-11,14H2,1H3