(3S)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(2-furanylmethylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(2-furfurylamino)-2-keto-ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H21N3O5S2/c21-15(18-10-14-5-2-8-25-14)11-19-17(22)13-4-1-7-20(12-13)27(23,24)16-6-3-9-26-16/h2-3,5-6,8-9,13H,1,4,7,10-12H2,(H,18,21)(H,19,22)/t13-/m0/s1