3-[3,4-dimethoxy-5-[(4-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: 3-[3,4-dimethoxy-5-[(4-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: 3-[3,4-dimethoxy-5-[[4-(1-piperidylsulfonyl)phenyl]sulfamoyl]phenyl]prop-2-enoic acid CAS Name: 3-[3,4-dimethoxy-5-[[4-(1-piperidinylsulfonyl)phenyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: 3-[3,4-dimethoxy-5-[(4-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: 3-[3,4-dimethoxy-5-[(4-piperidinosulfonylphenyl)sulfamoyl]phenyl]acrylic acid Formula: C22H26N2O8S2 MolecularWeight: 510.58044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H26N2O8S2/c1-31-19-14-16(6-11-21(25)26)15-20(22(19)32-2)33(27,28)23-17-7-9-18(10-8-17)34(29,30)24-12-4-3-5-13-24/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,25,26)