N-[2-(5,7-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(5,7-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(6-isopropyl-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(5,7-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(5,7-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(6-isopropyl-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitro-benzenesulfonamide Formula: C20H28N3O4S2+ MolecularWeight: 438.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C([N+]1(CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)C)SC=C2

Isomeric SMILES

CC1CC2=C(C([N+]1(CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)C)SC=C2

InChI

InChI=1S/C20H28N3O4S2/c1-14(2)23(15(3)13-17-9-12-28-20(17)16(23)4)11-10-21-29(26,27)19-7-5-18(6-8-19)22(24)25/h5-9,12,14-16,21H,10-11,13H2,1-4H3/q+1