3-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide

Systemtic Name: 3-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide Openeye Name: 3-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzenecarbothioamide CAS Name: 3-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzenecarbothioamide IUPAC Name: 3-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide Traditional Name: 3-(3-methylolpiperidino)sulfonylthiobenzamide Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=S)N)CO

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=S)N)CO

InChI

InChI=1S/C13H18N2O3S2/c14-13(19)11-4-1-5-12(7-11)20(17,18)15-6-2-3-10(8-15)9-16/h1,4-5,7,10,16H,2-3,6,8-9H2,(H2,14,19)