2-chloranyl-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxy-quinoline

Systemtic Name: 2-chloranyl-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxy-quinoline Openeye Name: 2-chloro-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxy-quinoline CAS Name: 2-chloro-3-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-7-methoxyquinoline IUPAC Name: 2-chloro-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxyquinoline Traditional Name: 2-chloro-3-[[4-(3-fluorophenyl)sulfonylpiperazino]methyl]-7-methoxy-quinoline Formula: C21H21ClFN3O3S MolecularWeight: 449.926143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)Cl

InChI

InChI=1S/C21H21ClFN3O3S/c1-29-18-6-5-15-11-16(21(22)24-20(15)13-18)14-25-7-9-26(10-8-25)30(27,28)19-4-2-3-17(23)12-19/h2-6,11-13H,7-10,14H2,1H3