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

Systemtic Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC3=C(C2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC3=C(C2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-3-19(4-2)26(23,24)14-5-6-15(16(11-14)20(21)22)18-9-7-17-13(12-18)8-10-25-17/h5-6,8,10-11H,3-4,7,9,12H2,1-2H3