N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H25N3O4S2/c1-16(2,3)18-13(20)10-17-15(21)12-6-4-8-19(11-12)25(22,23)14-7-5-9-24-14/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,17,21)(H,18,20)