(2-chloranyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (2-chloranyl-6-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: [2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-chloro-6-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-chloro-6-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H21ClN2O6S2 MolecularWeight: 484.97354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=S)N3CCOCC3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=S)N3CCOCC3)OC

InChI

InChI=1S/C20H21ClN2O6S2/c1-13(24)22-15-3-5-16(6-4-15)31(25,26)29-19-17(21)11-14(12-18(19)27-2)20(30)23-7-9-28-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,22,24)