1-[(6-chloranylpyridin-3-yl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-4-(2,5-dimethylphenyl)sulfonylpiperazine IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-4-(2,5-dimethylphenyl)sulfonylpiperazine Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-14-3-4-15(2)17(11-14)25(23,24)22-9-7-21(8-10-22)13-16-5-6-18(19)20-12-16/h3-6,11-12H,7-10,13H2,1-2H3