2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(3-chloro-4-fluoro-N-mesyl-anilino)-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C17H26ClFN4O3S MolecularWeight: 420.929743

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H26ClFN4O3S/c1-21-8-10-22(11-9-21)7-3-6-20-17(24)13-23(27(2,25)26)14-4-5-16(19)15(18)12-14/h4-5,12H,3,6-11,13H2,1-2H3,(H,20,24)