2-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-chloro-4-methyl-2-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazino]sulfonylbenzonitrile Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-16-18-7-3-4-8-19(18)25-20(22(16)23)15-26-10-12-27(13-11-26)30(28,29)21-9-5-2-6-17(21)14-24/h2-9H,10-13,15H2,1H3