N-[2-[2-[(3aS,6aR)-5-(1-methylpiperidin-4-yl)carbonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-oxidanylidene-ethoxy]ethyl]-4-methoxy-N,2,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[2-[2-[(3aS,6aR)-5-(1-methylpiperidin-4-yl)carbonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-oxidanylidene-ethoxy]ethyl]-4-methoxy-N,2,6-trimethyl-benzenesulfonamide Openeye Name: N-[2-[2-[(3aS,6aR)-5-(1-methylpiperidine-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-oxo-ethoxy]ethyl]-4-methoxy-N,2,6-trimethyl-benzenesulfonamide CAS Name: N-[2-[2-[(3aS,6aR)-5-[(1-methyl-4-piperidinyl)-oxomethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide IUPAC Name: N-[2-[2-[(3aS,6aR)-5-(1-methylpiperidine-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide Traditional Name: N-[2-[2-[(3aS,6aR)-5-(1-methylisonipecotoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-keto-ethoxy]ethyl]-4-methoxy-N,2,6-trimethyl-benzenesulfonamide Formula: C27H42N4O6S MolecularWeight: 550.71058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N(C)CCOCC(=O)N2CC3CN(CC3C2)C(=O)C4CCN(CC4)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N(C)CCOCC(=O)N2C[C@@H]3CN(C[C@@H]3C2)C(=O)C4CCN(CC4)C)C)OC

InChI

InChI=1S/C27H42N4O6S/c1-19-12-24(36-5)13-20(2)26(19)38(34,35)29(4)10-11-37-18-25(32)30-14-22-16-31(17-23(22)15-30)27(33)21-6-8-28(3)9-7-21/h12-13,21-23H,6-11,14-18H2,1-5H3/t22-,23+