(3S)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(hydroxymethyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-methylolphenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)CO

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)CO

InChI

InChI=1S/C17H20N2O4S2/c20-12-13-4-1-6-15(10-13)18-17(21)14-5-2-8-19(11-14)25(22,23)16-7-3-9-24-16/h1,3-4,6-7,9-10,14,20H,2,5,8,11-12H2,(H,18,21)/t14-/m0/s1