N-[(9R,10E,12R)-12-(tert-butylsulfonylamino)icosa-1,10,19-trien-9-yl]-2-methyl-propane-2-sulfonamide

Systemtic Name: N-[(9R,10E,12R)-12-(tert-butylsulfonylamino)icosa-1,10,19-trien-9-yl]-2-methyl-propane-2-sulfonamide Openeye Name: N-[(1R,2E,4R)-4-(tert-butylsulfonylamino)-1-oct-7-enyl-dodeca-2,11-dienyl]-2-methyl-propane-2-sulfonamide CAS Name: N-[(9R,10E,12R)-12-(tert-butylsulfonylamino)eicosa-1,10,19-trien-9-yl]-2-methyl-2-propanesulfonamide IUPAC Name: N-[(9R,10E,12R)-12-(tert-butylsulfonylamino)icosa-1,10,19-trien-9-yl]-2-methylpropane-2-sulfonamide Traditional Name: N-[(1R,2E,4R)-4-(tert-butylsulfonylamino)-1-oct-7-enyl-dodeca-2,11-dienyl]-2-methyl-propane-2-sulfonamide Formula: C28H54N2O4S2 MolecularWeight: 546.86936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)NC(CCCCCCC=C)C=CC(CCCCCCC=C)NS(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)S(=O)(=O)N[C@H](CCCCCCC=C)/C=C/[C@@H](CCCCCCC=C)NS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C28H54N2O4S2/c1-9-11-13-15-17-19-21-25(29-35(31,32)27(3,4)5)23-24-26(22-20-18-16-14-12-10-2)30-36(33,34)28(6,7)8/h9-10,23-26,29-30H,1-2,11-22H2,3-8H3/b24-23+/t25-,26-/m1/s1