[2-ethoxy-4-(4-oxidanylpiperidin-1-yl)carbothioyl-phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-ethoxy-4-(4-oxidanylpiperidin-1-yl)carbothioyl-phenyl] 4-bromanylbenzenesulfonate Openeye Name: [2-ethoxy-4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-ethoxy-4-[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-ethoxy-4-(4-hydroxypiperidine-1-carbothioyl)phenyl] ester Formula: C20H22BrNO5S2 MolecularWeight: 500.42638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)O)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)O)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrNO5S2/c1-2-26-19-13-14(20(28)22-11-9-16(23)10-12-22)3-8-18(19)27-29(24,25)17-6-4-15(21)5-7-17/h3-8,13,16,23H,2,9-12H2,1H3