N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(3-oxidanylidenepiperazin-1-yl)propanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(3-oxidanylidenepiperazin-1-yl)propanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(3-oxopiperazin-1-yl)propanamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(3-oxo-1-piperazinyl)propanamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3-oxopiperazin-1-yl)propanamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(3-ketopiperazino)propionamide Formula: C18H25ClN4O4S MolecularWeight: 428.9335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)N3CCNC(=O)C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)N3CCNC(=O)C3

InChI

InChI=1S/C18H25ClN4O4S/c1-13(22-10-7-20-17(24)12-22)18(25)21-16-11-14(5-6-15(16)19)28(26,27)23-8-3-2-4-9-23/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,24)(H,21,25)