2-chloranyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]quinoline CAS Name: 2-chloro-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[(4-tosylpiperazino)methyl]quinoline Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-16-6-8-19(9-7-16)28(26,27)25-12-10-24(11-13-25)15-18-14-17-4-2-3-5-20(17)23-21(18)22/h2-9,14H,10-13,15H2,1H3