2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-6,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-6,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazino]-6,7-dimethyl-quinoline-3-carbonitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)C)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)C)C#N)C

InChI

InChI=1S/C24H24N4O3S/c1-16-12-20-14-21(15-25)24(26-23(20)13-17(16)2)27-8-10-28(11-9-27)32(30,31)22-6-4-19(5-7-22)18(3)29/h4-7,12-14H,8-11H2,1-3H3