(2-chloranyl-4-morpholin-4-ylcarbothioyl-phenyl) benzenesulfonate

Systemtic Name: (2-chloranyl-4-morpholin-4-ylcarbothioyl-phenyl) benzenesulfonate Openeye Name: [2-chloro-4-(morpholine-4-carbothioyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-chloro-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-4-(morpholine-4-carbothioyl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-chloro-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C17H16ClNO4S2 MolecularWeight: 397.89624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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