7-methyl-2-[4-(phenylsulfonyl)piperazin-1-yl]quinoline-3-carbonitrile

Systemtic Name: 7-methyl-2-[4-(phenylsulfonyl)piperazin-1-yl]quinoline-3-carbonitrile Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-7-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-7-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-7-methylquinoline-3-carbonitrile Traditional Name: 2-(4-besylpiperazino)-7-methyl-quinoline-3-carbonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H20N4O2S/c1-16-7-8-17-14-18(15-22)21(23-20(17)13-16)24-9-11-25(12-10-24)28(26,27)19-5-3-2-4-6-19/h2-8,13-14H,9-12H2,1H3