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

Systemtic Name: [4-(4-oxidanylpiperidin-1-yl)carbothioylphenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCC(CC3)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCC(CC3)O

InChI

InChI=1S/C20H22N2O5S2/c1-14(23)21-16-4-8-19(9-5-16)29(25,26)27-18-6-2-15(3-7-18)20(28)22-12-10-17(24)11-13-22/h2-9,17,24H,10-13H2,1H3,(H,21,23)