3-methyl-8-[4-[(2-methylphenyl)methyl]piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-[(2-methylphenyl)methyl]piperazin-1-yl]sulfonyl-quinoline Openeye Name: 3-methyl-8-[4-(o-tolylmethyl)piperazin-1-yl]sulfonyl-quinoline CAS Name: 3-methyl-8-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 3-methyl-8-[4-[(2-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline Traditional Name: 3-methyl-8-[4-(2-methylbenzyl)piperazino]sulfonyl-quinoline Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

InChI

InChI=1S/C22H25N3O2S/c1-17-14-19-8-5-9-21(22(19)23-15-17)28(26,27)25-12-10-24(11-13-25)16-20-7-4-3-6-18(20)2/h3-9,14-15H,10-13,16H2,1-2H3