4,8-dimethyl-2-[4-(phenylsulfonyl)piperazin-1-yl]quinoline

Systemtic Name: 4,8-dimethyl-2-[4-(phenylsulfonyl)piperazin-1-yl]quinoline Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-4,8-dimethyl-quinoline CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-4,8-dimethylquinoline IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-4,8-dimethylquinoline Traditional Name: 2-(4-besylpiperazino)-4,8-dimethyl-quinoline Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-16-7-6-10-19-17(2)15-20(22-21(16)19)23-11-13-24(14-12-23)27(25,26)18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3