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

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-acetamidobenzenesulfonate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H19BrN2O5S2 MolecularWeight: 499.39856

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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)Br)C(=S)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O5S2/c1-13(23)21-15-3-5-16(6-4-15)29(24,25)27-18-7-2-14(20)12-17(18)19(28)22-8-10-26-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,23)