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

Systemtic Name: methyl 2-[[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonyl-methyl-amino]-4-phenyl-butanoate Openeye Name: methyl 2-[[4-(5-chloro-2-pyridyl)piperazin-1-yl]sulfonyl-methyl-amino]-4-phenyl-butanoate CAS Name: 2-[[4-(5-chloro-2-pyridinyl)-1-piperazinyl]sulfonyl-methylamino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-(5-chloropyridin-2-yl)piperazin-1-yl]sulfonyl-methylamino]-4-phenylbutanoate Traditional Name: 2-[[4-(5-chloro-2-pyridyl)piperazino]sulfonyl-methyl-amino]-4-phenyl-butyric acid methyl ester Formula: C21H27ClN4O4S MolecularWeight: 466.98148

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCC1=CC=CC=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Cl

Isomeric SMILES

CN(C(CCC1=CC=CC=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O4S/c1-24(19(21(27)30-2)10-8-17-6-4-3-5-7-17)31(28,29)26-14-12-25(13-15-26)20-11-9-18(22)16-23-20/h3-7,9,11,16,19H,8,10,12-15H2,1-2H3