1-(5-bromanylpyridin-2-yl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine Openeye Name: 1-(5-bromo-2-pyridyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine CAS Name: 1-(5-bromo-2-pyridinyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine IUPAC Name: 1-(5-bromopyridin-2-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine Traditional Name: 1-(5-bromo-2-pyridyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine Formula: C17H20BrN3O2S MolecularWeight: 410.3286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)C

InChI

InChI=1S/C17H20BrN3O2S/c1-13-3-5-16(11-14(13)2)24(22,23)21-9-7-20(8-10-21)17-6-4-15(18)12-19-17/h3-6,11-12H,7-10H2,1-2H3