[2-(4-tert-butylphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-tert-butylphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-(4-tert-butylphenyl)-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [2-(4-tert-butylphenyl)-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-(4-tert-butylphenyl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-(4-tert-butylphenyl)-4-quinolyl]-(4-mesylpiperazino)methanone Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C25H29N3O3S/c1-25(2,3)19-11-9-18(10-12-19)23-17-21(20-7-5-6-8-22(20)26-23)24(29)27-13-15-28(16-14-27)32(4,30)31/h5-12,17H,13-16H2,1-4H3