4-[[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxo-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-keto-propyl]amino]-3-nitro-benzenesulfonamide Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])SC=C2

Isomeric SMILES

CCC1C2=C(CCN1C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])SC=C2

InChI

InChI=1S/C18H22N4O5S2/c1-2-15-13-7-10-28-17(13)6-9-21(15)18(23)5-8-20-14-4-3-12(29(19,26)27)11-16(14)22(24)25/h3-4,7,10-11,15,20H,2,5-6,8-9H2,1H3,(H2,19,26,27)