1-(5-bromanylthiophen-2-yl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxamide Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-[2-(2-furylmethylamino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-N-[2-(2-furanylmethylamino)-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-[2-(2-furfurylamino)-2-keto-ethyl]nipecotamide Formula: C17H20BrN3O5S2 MolecularWeight: 490.3918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H20BrN3O5S2/c18-14-5-6-16(27-14)28(24,25)21-7-1-3-12(11-21)17(23)20-10-15(22)19-9-13-4-2-8-26-13/h2,4-6,8,12H,1,3,7,9-11H2,(H,19,22)(H,20,23)