(3aR,4R,5R,6R,6aS)-6-ethyl-2,2,5-trimethyl-5-oxidanidyl-4-(phenylsulfonylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium

Systemtic Name: (3aR,4R,5R,6R,6aS)-6-ethyl-2,2,5-trimethyl-5-oxidanidyl-4-(phenylsulfonylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium Openeye Name: (3aR,4R,5R,6R,6aS)-4-(benzenesulfonylmethyl)-6-ethyl-2,2,5-trimethyl-5-oxido-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium CAS Name: (3aR,4R,5R,6R,6aS)-4-(benzenesulfonylmethyl)-6-ethyl-2,2,5-trimethyl-5-oxido-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium IUPAC Name: (3aR,4R,5R,6R,6aS)-4-(benzenesulfonylmethyl)-6-ethyl-2,2,5-trimethyl-5-oxido-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium Traditional Name: (3aR,4R,5R,6R,6aS)-4-(besylmethyl)-6-ethyl-2,2,5-trimethyl-5-oxido-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2C(C([N+]1(C)[O-])CS(=O)(=O)C3=CC=CC=C3)OC(O2)(C)C

Isomeric SMILES

CC[C@@H]1[C@H]2[C@@H]([C@@H]([N@+]1(C)[O-])CS(=O)(=O)C3=CC=CC=C3)OC(O2)(C)C

InChI

InChI=1S/C17H25NO5S/c1-5-13-15-16(23-17(2,3)22-15)14(18(13,4)19)11-24(20,21)12-9-7-6-8-10-12/h6-10,13-16H,5,11H2,1-4H3/t13-,14+,15+,16-,18-/m1/s1