(2,6-dimethylquinolin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,6-dimethylquinolin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (2,6-dimethyl-4-quinolyl)-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: (2,6-dimethyl-4-quinolinyl)-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,6-dimethylquinolin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (2,6-dimethyl-4-quinolyl)-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C24H25N3O3S/c1-18-8-9-23-21(16-18)22(17-19(2)25-23)24(28)26-11-13-27(14-12-26)31(29,30)15-10-20-6-4-3-5-7-20/h3-10,15-17H,11-14H2,1-2H3/b15-10+