ethyl 8-methyl-3-[3-(11-sulfanylundecanoylamino)phenyl]sulfonyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: ethyl 8-methyl-3-[3-(11-sulfanylundecanoylamino)phenyl]sulfonyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: ethyl 8-methyl-3-[3-(11-sulfanylundecanoylamino)phenyl]sulfonyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-[3-[(11-mercapto-1-oxoundecyl)amino]phenyl]sulfonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-methyl-3-[3-(11-sulfanylundecanoylamino)phenyl]sulfonyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-[3-(11-mercaptoundecanoylamino)phenyl]sulfonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester Formula: C28H44N2O6S2 MolecularWeight: 568.78876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(N2C)CC1OS(=O)(=O)C3=CC=CC(=C3)NC(=O)CCCCCCCCCCS

Isomeric SMILES

CCOC(=O)C1C2CCC(N2C)CC1OS(=O)(=O)C3=CC=CC(=C3)NC(=O)CCCCCCCCCCS

InChI

InChI=1S/C28H44N2O6S2/c1-3-35-28(32)27-24-17-16-22(30(24)2)20-25(27)36-38(33,34)23-14-12-13-21(19-23)29-26(31)15-10-8-6-4-5-7-9-11-18-37/h12-14,19,22,24-25,27,37H,3-11,15-18,20H2,1-2H3,(H,29,31)