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

Systemtic Name: 4-chloranyl-N-(3-ethoxypropyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(3-ethoxypropyl)-3-nitro-N-[2-[4-(o-tolyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-chloro-N-(3-ethoxypropyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(3-ethoxypropyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(3-ethoxypropyl)-N-[2-keto-2-[4-(o-tolyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-3-nitro-benzenesulfonamide Formula: C27H30ClN3O6S2 MolecularWeight: 592.1266

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC(=O)N1CCC2=C(C1C3=CC=CC=C3C)C=CS2)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOCCCN(CC(=O)N1CCC2=C(C1C3=CC=CC=C3C)C=CS2)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H30ClN3O6S2/c1-3-37-15-6-13-29(39(35,36)20-9-10-23(28)24(17-20)31(33)34)18-26(32)30-14-11-25-22(12-16-38-25)27(30)21-8-5-4-7-19(21)2/h4-5,7-10,12,16-17,27H,3,6,11,13-15,18H2,1-2H3