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(E)-3-[3,4-dimethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
(E)-3-[3,4-dimethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCC2CCCO2)OC
Isomeric SMILES
COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NCC2CCCO2)OC
InChI
InChI=1S/C16H21NO7S/c1-22-13-8-11(5-6-15(18)19)9-14(16(13)23-2)25(20,21)17-10-12-4-3-7-24-12/h5-6,8-9,12,17H,3-4,7,10H2,1-2H3,(H,18,19)/b6-5+
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