1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1S)-1-methyl-2-oxo-2-(3-pyridylmethylamino)ethyl]piperidine-4-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-oxo-1-(3-pyridinylmethylamino)propan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(3-pyridylmethylamino)ethyl]-1-piazthiol-4-ylsulfonyl-isonipecotamide Formula: C21H24N6O4S2 MolecularWeight: 488.58306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CN=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C[C@@H](C(=O)NCC1=CN=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H24N6O4S2/c1-14(20(28)23-13-15-4-3-9-22-12-15)24-21(29)16-7-10-27(11-8-16)33(30,31)18-6-2-5-17-19(18)26-32-25-17/h2-6,9,12,14,16H,7-8,10-11,13H2,1H3,(H,23,28)(H,24,29)/t14-/m0/s1