1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C18H25N5O4S2/c1-18(2,3)20-15(24)10-19-17(25)12-6-5-9-23(11-12)29(26,27)14-8-4-7-13-16(14)22-28-21-13/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,19,25)(H,20,24)