N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3-oxopiperazin-1-yl)phenyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(3-oxo-1-piperazinyl)phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(3-oxopiperazin-1-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5O4S/c27-20-15-25(13-10-23-20)18-5-3-17(4-6-18)24-21(28)16-7-11-26(12-8-16)31(29,30)19-2-1-9-22-14-19/h1-6,9,14,16H,7-8,10-13,15H2,(H,23,27)(H,24,28)