2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-5,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(3-acetylphenyl)sulfonylpiperazino]-5,7-dimethyl-quinoline-3-carbonitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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