(2-cyclopropylquinolin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C25H25N3O3S MolecularWeight: 447.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O3S/c29-25(22-18-24(20-10-11-20)26-23-9-5-4-8-21(22)23)27-13-15-28(16-14-27)32(30,31)17-12-19-6-2-1-3-7-19/h1-9,12,17-18,20H,10-11,13-16H2/b17-12+