4-(ethylamino)-7-oxidanylidene-6-(phenylmethyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-7-ium-2-sulfonamide

Systemtic Name: 4-(ethylamino)-7-oxidanylidene-6-(phenylmethyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-7-ium-2-sulfonamide Openeye Name: 6-benzyl-4-(ethylamino)-7-oxo-5,6-dihydro-4H-thieno[2,3-b]pyridin-7-ium-2-sulfonamide CAS Name: 4-(ethylamino)-7-oxo-6-(phenylmethyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-7-ium-2-sulfonamide IUPAC Name: 6-benzyl-4-(ethylamino)-7-oxo-5,6-dihydro-4H-thieno[2,3-b]pyridin-7-ium-2-sulfonamide Traditional Name: 6-benzyl-4-(ethylamino)-7-keto-5,6-dihydro-4H-thieno[2,3-b]pyridin-7-ium-2-sulfonamide Formula: C16H20N3O3S2+ MolecularWeight: 366.4783

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CC([N+](=O)C2=C1C=C(S2)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CCNC1CC([N+](=O)C2=C1C=C(S2)S(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N3O3S2/c1-2-18-14-9-12(8-11-6-4-3-5-7-11)19(20)16-13(14)10-15(23-16)24(17,21)22/h3-7,10,12,14,18H,2,8-9H2,1H3,(H2,17,21,22)/q+1