[4-(4-oxidanylpiperidin-1-yl)carbothioylphenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-(4-oxidanylpiperidin-1-yl)carbothioylphenyl] 4-methoxybenzenesulfonate Openeye Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCC(CC3)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCC(CC3)O

InChI

InChI=1S/C19H21NO5S2/c1-24-16-6-8-18(9-7-16)27(22,23)25-17-4-2-14(3-5-17)19(26)20-12-10-15(21)11-13-20/h2-9,15,21H,10-13H2,1H3