(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) naphthalene-2-sulfonate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) naphthalene-2-sulfonate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C21H18BrNO4S2 MolecularWeight: 492.40592

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18BrNO4S2/c22-17-6-8-20(19(14-17)21(28)23-9-11-26-12-10-23)27-29(24,25)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2