(2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) naphthalene-2-sulfonate

Systemtic Name: (2-methoxy-5-morpholin-4-ylcarbothioyl-phenyl) naphthalene-2-sulfonate Openeye Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [2-methoxy-5-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [2-methoxy-5-(morpholine-4-carbothioyl)phenyl] ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21NO5S2/c1-26-20-9-7-18(22(29)23-10-12-27-13-11-23)15-21(20)28-30(24,25)19-8-6-16-4-2-3-5-17(16)14-19/h2-9,14-15H,10-13H2,1H3