(4-morpholin-4-ylcarbothioylphenyl) 2-nitrobenzenesulfonate

Systemtic Name: (4-morpholin-4-ylcarbothioylphenyl) 2-nitrobenzenesulfonate Openeye Name: [4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(morpholine-4-carbothioyl)phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-(morpholine-4-carbothioyl)phenyl] ester Formula: C17H16N2O6S2 MolecularWeight: 408.44874

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=S)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S2/c20-19(21)15-3-1-2-4-16(15)27(22,23)25-14-7-5-13(6-8-14)17(26)18-9-11-24-12-10-18/h1-8H,9-12H2