N,N-diethyl-3-[2-methyl-1-(4-nitrophenyl)sulfanyl-indolizin-3-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[2-methyl-1-(4-nitrophenyl)sulfanyl-indolizin-3-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[2-methyl-1-(4-nitrophenyl)sulfanyl-indolizine-3-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[2-methyl-1-[(4-nitrophenyl)thio]-3-indolizinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[2-methyl-1-(4-nitrophenyl)sulfanylindolizine-3-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[2-methyl-1-[(4-nitrophenyl)thio]indolizine-3-carbonyl]benzenesulfonamide Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C(C(=C3N2C=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C(C(=C3N2C=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H25N3O5S2/c1-4-27(5-2)36(33,34)22-10-8-9-19(17-22)25(30)24-18(3)26(23-11-6-7-16-28(23)24)35-21-14-12-20(13-15-21)29(31)32/h6-17H,4-5H2,1-3H3