2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H23N3O7S2/c24-20(22-7-1-3-16(22)19-4-2-12-31-19)14-30-18-6-5-15(13-17(18)23(25)26)32(27,28)21-8-10-29-11-9-21/h2,4-6,12-13,16H,1,3,7-11,14H2