(3S,4aR,6R,8aR)-6-[3-(methylsulfonylamino)-3-oxidanylidene-propyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid

Systemtic Name: (3S,4aR,6R,8aR)-6-[3-(methylsulfonylamino)-3-oxidanylidene-propyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid Openeye Name: (3S,4aR,6R,8aR)-6-[3-(methanesulfonamido)-3-oxo-propyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid CAS Name: (3S,4aR,6R,8aR)-6-[3-(methanesulfonamido)-3-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid IUPAC Name: (3S,4aR,6R,8aR)-6-[3-(methanesulfonamido)-3-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid Traditional Name: (3S,4aR,6R,8aR)-6-[3-keto-3-(methanesulfonamido)propyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid Formula: C15H24N2O7S MolecularWeight: 376.42526

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)CCC1CCC2CN(C(CC2C1)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC(=O)CC[C@H]1CC[C@H]2CN([C@@H](C[C@H]2C1)C(=O)O)C(=O)O

InChI

InChI=1S/C15H24N2O7S/c1-25(23,24)16-13(18)5-3-9-2-4-10-8-17(15(21)22)12(14(19)20)7-11(10)6-9/h9-12H,2-8H2,1H3,(H,16,18)(H,19,20)(H,21,22)/t9-,10+,11-,12+/m1/s1