(E)-3-(3,4-dimethoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3,4-dimethoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-(1-piperidylsulfonyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(3,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(3,4-dimethoxy-5-piperidinosulfonyl-phenyl)acrylic acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)N2CCCCC2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCCC2)OC

InChI

InChI=1S/C16H21NO6S/c1-22-13-10-12(6-7-15(18)19)11-14(16(13)23-2)24(20,21)17-8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19)/b7-6+