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

Systemtic Name: methyl 2-[[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonylamino]-4-phenyl-butanoate Openeye Name: methyl 2-[[4-(5-chloro-2-pyridyl)piperazin-1-yl]sulfonylamino]-4-phenyl-butanoate CAS Name: 2-[[4-(5-chloro-2-pyridinyl)-1-piperazinyl]sulfonylamino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-(5-chloropyridin-2-yl)piperazin-1-yl]sulfonylamino]-4-phenylbutanoate Traditional Name: 2-[[4-(5-chloro-2-pyridyl)piperazino]sulfonylamino]-4-phenyl-butyric acid methyl ester Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=CC=C1)NS(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C(CCC1=CC=CC=C1)NS(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4O4S/c1-29-20(26)18(9-7-16-5-3-2-4-6-16)23-30(27,28)25-13-11-24(12-14-25)19-10-8-17(21)15-22-19/h2-6,8,10,15,18,23H,7,9,11-14H2,1H3