3-[2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-[(2-methylsulfonylphenyl)methyl]-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(2-mesylbenzyl)piperazino]-8-quinolyl]benzonitrile Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

InChI

InChI=1S/C28H26N4O2S/c1-35(33,34)26-11-3-2-7-24(26)20-31-14-16-32(17-15-31)27-13-12-22-8-5-10-25(28(22)30-27)23-9-4-6-21(18-23)19-29/h2-13,18H,14-17,20H2,1H3