5-chloranyl-2-methoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 5-chloro-2-methoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 5-chloro-2-methoxy-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 5-chloro-2-methoxy-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C18H22ClN5O4S MolecularWeight: 439.91638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22ClN5O4S/c1-28-16-4-3-14(19)13-15(16)17(25)20-7-12-29(26,27)24-10-8-23(9-11-24)18-21-5-2-6-22-18/h2-6,13H,7-12H2,1H3,(H,20,25)