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

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-chloranylbenzenesulfonate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H18ClNO5S2 MolecularWeight: 427.92222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO5S2/c1-23-17-12-13(18(26)20-8-10-24-11-9-20)2-7-16(17)25-27(21,22)15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3