(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-chloranylbenzenesulfonate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-chloranylbenzenesulfonate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C17H15BrClNO4S2 MolecularWeight: 476.7923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClNO4S2/c18-12-1-6-16(15(11-12)17(25)20-7-9-23-10-8-20)24-26(21,22)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2