(3-morpholin-4-ylcarbothioylphenyl) 4-chloranylbenzenesulfonate

Systemtic Name: (3-morpholin-4-ylcarbothioylphenyl) 4-chloranylbenzenesulfonate Openeye Name: [3-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [3-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(morpholine-4-carbothioyl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [3-(morpholine-4-carbothioyl)phenyl] ester Formula: C17H16ClNO4S2 MolecularWeight: 397.89624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO4S2/c18-14-4-6-16(7-5-14)25(20,21)23-15-3-1-2-13(12-15)17(24)19-8-10-22-11-9-19/h1-7,12H,8-11H2