3-[4-[(3,4-dimethoxyphenyl)methyl-(2-oxidanylideneazepan-3-yl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3,4-dimethoxyphenyl)methyl-(2-oxidanylideneazepan-3-yl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3,4-dimethoxyphenyl)methyl-(2-oxoazepan-3-yl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3,4-dimethoxyphenyl)methyl-(2-oxo-3-azepanyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3,4-dimethoxyphenyl)methyl-(2-oxoazepan-3-yl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-ketoazepan-3-yl)-veratryl-sulfamoyl]phenyl]propionic acid Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)OC

InChI

InChI=1S/C24H30N2O7S/c1-32-21-12-8-18(15-22(21)33-2)16-26(20-5-3-4-14-25-24(20)29)34(30,31)19-10-6-17(7-11-19)9-13-23(27)28/h6-8,10-12,15,20H,3-5,9,13-14,16H2,1-2H3,(H,25,29)(H,27,28)