azanyl 2-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonyl-3-methyl-butanoate

Systemtic Name: azanyl 2-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonyl-3-methyl-butanoate Openeye Name: amino 2-[4-(5-chloro-2-pyridyl)piperazin-1-yl]sulfonyl-3-methyl-butanoate CAS Name: 2-[[4-(5-chloro-2-pyridinyl)-1-piperazinyl]sulfonyl]-3-methylbutanoic acid amino ester IUPAC Name: amino 2-[4-(5-chloropyridin-2-yl)piperazin-1-yl]sulfonyl-3-methylbutanoate Traditional Name: 2-[4-(5-chloro-2-pyridyl)piperazino]sulfonyl-3-methyl-butyric acid amino ester Formula: C14H21ClN4O4S MolecularWeight: 376.85894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)ON)S(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)ON)S(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)Cl

InChI

InChI=1S/C14H21ClN4O4S/c1-10(2)13(14(20)23-16)24(21,22)19-7-5-18(6-8-19)12-4-3-11(15)9-17-12/h3-4,9-10,13H,5-8,16H2,1-2H3