[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoate

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoate CAS Name: 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoate Traditional Name: 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C27H33N3O6S MolecularWeight: 527.63242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC4(CC3CC(C4)(C)C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC4(CC3CC(C4)(C)C)C

InChI

InChI=1S/C27H33N3O6S/c1-18(31)28-20-8-10-21(11-9-20)29-24(32)15-36-25(33)19-6-5-7-23(12-19)37(34,35)30-17-27(4)14-22(30)13-26(2,3)16-27/h5-12,22H,13-17H2,1-4H3,(H,28,31)(H,29,32)