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

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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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=C2)C(=S)N3CCOCC3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC

InChI

InChI=1S/C20H22N2O6S2/c1-14(23)21-16-4-6-17(7-5-16)30(24,25)28-18-8-3-15(13-19(18)26-2)20(29)22-9-11-27-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,21,23)