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

Systemtic Name: methyl 2-[[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[4-(5-chloro-2-pyridyl)piperazin-1-yl]sulfonylamino]-3-methyl-butanoate CAS Name: 2-[[4-(5-chloro-2-pyridinyl)-1-piperazinyl]sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-(5-chloropyridin-2-yl)piperazin-1-yl]sulfonylamino]-3-methylbutanoate Traditional Name: 2-[[4-(5-chloro-2-pyridyl)piperazino]sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C15H23ClN4O4S MolecularWeight: 390.88552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)OC)NS(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)Cl

InChI

InChI=1S/C15H23ClN4O4S/c1-11(2)14(15(21)24-3)18-25(22,23)20-8-6-19(7-9-20)13-5-4-12(16)10-17-13/h4-5,10-11,14,18H,6-9H2,1-3H3