N-butan-2-yl-4-chloranyl-3-nitro-N-[2-oxidanylidene-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide

Systemtic Name: N-butan-2-yl-4-chloranyl-3-nitro-N-[2-oxidanylidene-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide Openeye Name: 4-chloro-3-nitro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-4-chloro-3-nitro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-chloro-3-nitro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide Traditional Name: 4-chloro-N-[2-keto-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-nitro-N-sec-butyl-benzenesulfonamide Formula: C25H26ClN3O5S2 MolecularWeight: 548.07404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=CS2)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N(CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=CS2)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H26ClN3O5S2/c1-3-17(2)28(36(33,34)19-9-10-21(26)22(15-19)29(31)32)16-24(30)27-13-11-23-20(12-14-35-23)25(27)18-7-5-4-6-8-18/h4-10,12,14-15,17,25H,3,11,13,16H2,1-2H3