[2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate Openeye Name: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)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-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acrylic acid [2-keto-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester Formula: C27H33N3O7S2 MolecularWeight: 575.69682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=O)COC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)S(=O)(=O)N)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=O)COC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)S(=O)(=O)N)C)C

InChI

InChI=1S/C27H33N3O7S2/c1-26(2)14-21-15-27(3,17-26)18-30(21)24(31)16-37-25(32)12-9-19-7-10-22(11-8-19)39(35,36)29-20-5-4-6-23(13-20)38(28,33)34/h4-13,21,29H,14-18H2,1-3H3,(H2,28,33,34)/b12-9+