(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(2-hydroxyphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2-hydroxyphenyl)nipecotamide Formula: C16H17BrN2O4S2 MolecularWeight: 445.35118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C16H17BrN2O4S2/c17-14-7-8-15(24-14)25(22,23)19-9-3-4-11(10-19)16(21)18-12-5-1-2-6-13(12)20/h1-2,5-8,11,20H,3-4,9-10H2,(H,18,21)/t11-/m0/s1