2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(2-chloro-6-fluoro-benzyl)-N-methyl-acetamide Formula: C20H30ClFN4O3S MolecularWeight: 460.993603

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30ClFN4O3S/c1-23(15-17-18(21)7-6-8-19(17)22)20(27)16-24-11-13-26(14-12-24)30(28,29)25-9-4-2-3-5-10-25/h6-8H,2-5,9-16H2,1H3