N-(5-bromanylpyridin-2-yl)-1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-(5-nitrobenzothiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-(5-nitro-1-benzothiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-(5-nitrobenzothiophene-2-carbonyl)nipecotamide Formula: C20H17BrN4O4S MolecularWeight: 489.34238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN4O4S/c21-14-3-6-18(22-10-14)23-19(26)12-2-1-7-24(11-12)20(27)17-9-13-8-15(25(28)29)4-5-16(13)30-17/h3-6,8-10,12H,1-2,7,11H2,(H,22,23,26)