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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

InChI

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