N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-1-propylsulfonyl-nipecotamide Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C18H27N5O4S/c1-2-10-28(26,27)23-8-3-4-14(12-23)18(25)21-15-5-6-16(20-11-15)22-9-7-19-17(24)13-22/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,19,24)(H,21,25)