N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-1-(2-cyanophenyl)sulfonyl-isonipecotamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC(=CS2)CC(=O)N)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC(=CS2)CC(=O)N)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H19N5O4S2/c19-10-13-3-1-2-4-15(13)29(26,27)23-7-5-12(6-8-23)17(25)22-18-21-14(11-28-18)9-16(20)24/h1-4,11-12H,5-9H2,(H2,20,24)(H,21,22,25)