2-[4-(3-chloranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-6-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(3-chloranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-6-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3-chloro-4-methyl-phenyl)sulfonylpiperazin-1-yl]-6-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-(3-chloro-4-methylphenyl)sulfonyl-1-piperazinyl]-6-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(3-chloro-4-methyl-phenyl)sulfonylpiperazino]-6-methyl-quinoline-3-carbonitrile Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-15-3-6-21-17(11-15)12-18(14-24)22(25-21)26-7-9-27(10-8-26)30(28,29)19-5-4-16(2)20(23)13-19/h3-6,11-13H,7-10H2,1-2H3