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

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-6-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazino]-6-methyl-quinoline-3-carbonitrile Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c1-15-5-6-20-16(11-15)12-17(14-23)21(24-20)25-7-9-26(10-8-25)29(27,28)19-4-2-3-18(22)13-19/h2-6,11-13H,7-10H2,1H3