(5-bromanylpyridin-3-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H20BrN3O4S/c1-2-26-16-3-5-17(6-4-16)27(24,25)22-9-7-21(8-10-22)18(23)14-11-15(19)13-20-12-14/h3-6,11-13H,2,7-10H2,1H3