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

Systemtic Name: 2-chloranyl-3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxy-quinoline Openeye Name: 2-chloro-3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxy-quinoline CAS Name: 2-chloro-3-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-7-methoxyquinoline IUPAC Name: 2-chloro-3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxyquinoline Traditional Name: 2-chloro-3-[[4-(4-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=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

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