3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide

Systemtic Name: 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide Openeye Name: 3-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]benzenecarbothioamide CAS Name: 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzenecarbothioamide IUPAC Name: 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide Traditional Name: 3-(4-methylolpiperidino)sulfonylthiobenzamide Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)S(=O)(=O)C2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CN(CCC1CO)S(=O)(=O)C2=CC=CC(=C2)C(=S)N

InChI

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