(4-chloranylpyridin-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-chloranylpyridin-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-chloro-2-pyridyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-chloro-2-pyridinyl)-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-chloropyridin-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-chloro-2-pyridyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]methanone Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC=CC(=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC=CC(=C3)Cl)OC

InChI

InChI=1S/C18H20ClN3O5S/c1-26-16-4-3-14(12-17(16)27-2)28(24,25)22-9-7-21(8-10-22)18(23)15-11-13(19)5-6-20-15/h3-6,11-12H,7-10H2,1-2H3