8-[(4-methylpiperazin-1-yl)methyl]-3-(phenylsulfonyl)quinoline

Systemtic Name: 8-[(4-methylpiperazin-1-yl)methyl]-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-8-[(4-methylpiperazin-1-yl)methyl]quinoline CAS Name: 3-(benzenesulfonyl)-8-[(4-methyl-1-piperazinyl)methyl]quinoline IUPAC Name: 3-(benzenesulfonyl)-8-[(4-methylpiperazin-1-yl)methyl]quinoline Traditional Name: 3-besyl-8-[(4-methylpiperazino)methyl]quinoline Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-23-10-12-24(13-11-23)16-18-7-5-6-17-14-20(15-22-21(17)18)27(25,26)19-8-3-2-4-9-19/h2-9,14-15H,10-13,16H2,1H3