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

Systemtic Name: methyl 3-[4-[(3,4-dimethoxyphenyl)methyl-(2-oxidanylideneazepan-3-yl)sulfamoyl]phenyl]propanoate Openeye Name: methyl 3-[4-[(3,4-dimethoxyphenyl)methyl-(2-oxoazepan-3-yl)sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[(3,4-dimethoxyphenyl)methyl-(2-oxo-3-azepanyl)sulfamoyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(3,4-dimethoxyphenyl)methyl-(2-oxoazepan-3-yl)sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[(2-ketoazepan-3-yl)-veratryl-sulfamoyl]phenyl]propionic acid methyl ester Formula: C25H32N2O7S MolecularWeight: 504.59578

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O7S/c1-32-22-13-9-19(16-23(22)33-2)17-27(21-6-4-5-15-26-25(21)29)35(30,31)20-11-7-18(8-12-20)10-14-24(28)34-3/h7-9,11-13,16,21H,4-6,10,14-15,17H2,1-3H3,(H,26,29)