2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-methyl-4-quinolyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2-methyl-4-quinolinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-methyl-4-quinolyl)piperazino]sulfonylbenzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

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