1-morpholin-4-yl-2-[3-nitro-5-(phenylmethyl)sulfonyl-phenyl]sulfanyl-ethanone

Systemtic Name: 1-morpholin-4-yl-2-[3-nitro-5-(phenylmethyl)sulfonyl-phenyl]sulfanyl-ethanone Openeye Name: 2-(3-benzylsulfonyl-5-nitro-phenyl)sulfanyl-1-morpholino-ethanone CAS Name: 1-(4-morpholinyl)-2-[[3-nitro-5-(phenylmethyl)sulfonylphenyl]thio]ethanone IUPAC Name: 2-(3-benzylsulfonyl-5-nitrophenyl)sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[(3-benzylsulfonyl-5-nitro-phenyl)thio]-1-morpholino-ethanone Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=CC(=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C(=O)CSC2=CC(=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O6S2/c22-19(20-6-8-27-9-7-20)13-28-17-10-16(21(23)24)11-18(12-17)29(25,26)14-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2