[7-chloranyl-2-(5-ethylthiophen-2-yl)-8-methyl-quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [7-chloranyl-2-(5-ethylthiophen-2-yl)-8-methyl-quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [7-chloro-2-(5-ethyl-2-thienyl)-8-methyl-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [7-chloro-2-(5-ethyl-2-thiophenyl)-8-methyl-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [7-chloro-2-(5-ethylthiophen-2-yl)-8-methylquinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [7-chloro-2-(5-ethyl-2-thienyl)-8-methyl-4-quinolyl]-(4-mesylpiperazino)methanone Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H24ClN3O3S2/c1-4-15-5-8-20(30-15)19-13-17(16-6-7-18(23)14(2)21(16)24-19)22(27)25-9-11-26(12-10-25)31(3,28)29/h5-8,13H,4,9-12H2,1-3H3