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

Systemtic Name: (2-chloranylpyridin-3-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-chloro-3-pyridyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-chloro-3-pyridinyl)-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-chloropyridin-3-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-chloro-3-pyridyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S/c1-13-5-6-15(12-14(13)2)26(24,25)22-10-8-21(9-11-22)18(23)16-4-3-7-20-17(16)19/h3-7,12H,8-11H2,1-2H3