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

Systemtic Name: [4-(4-oxidanylpiperidin-1-yl)carbothioylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCC(CC3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCC(CC3)O

InChI

InChI=1S/C19H21NO4S2/c1-14-2-8-18(9-3-14)26(22,23)24-17-6-4-15(5-7-17)19(25)20-12-10-16(21)11-13-20/h2-9,16,21H,10-13H2,1H3