[6-chloranyl-2-(2,5-dimethylthiophen-3-yl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [6-chloranyl-2-(2,5-dimethylthiophen-3-yl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [6-chloro-2-(2,5-dimethyl-3-thienyl)-4-quinolyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [6-chloro-2-(2,5-dimethyl-3-thiophenyl)-4-quinolinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [6-chloro-2-(2,5-dimethylthiophen-3-yl)quinolin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [6-chloro-2-(2,5-dimethyl-3-thienyl)-4-quinolyl]-(4-mesylpiperazino)methanone Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H22ClN3O3S2/c1-13-10-16(14(2)29-13)20-12-18(17-11-15(22)4-5-19(17)23-20)21(26)24-6-8-25(9-7-24)30(3,27)28/h4-5,10-12H,6-9H2,1-3H3