(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]-2-propenoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acrylic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H25N3O7S2 MolecularWeight: 507.5798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C22H25N3O7S2/c23-33(28,29)20-6-4-5-18(15-20)24-34(30,31)19-10-7-17(8-11-19)9-12-22(27)32-16-21(26)25-13-2-1-3-14-25/h4-12,15,24H,1-3,13-14,16H2,(H2,23,28,29)/b12-9+