(Z)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (Z)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: (Z)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (Z)-3-[3-(1-azepanylsulfonyl)-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (Z)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (Z)-3-[3-(azepan-1-ylsulfonyl)-4,5-dimethoxy-phenyl]acrylic acid Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\C(=O)O)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C17H23NO6S/c1-23-14-11-13(7-8-16(19)20)12-15(17(14)24-2)25(21,22)18-9-5-3-4-6-10-18/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20)/b8-7-