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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-chloro-4-fluoro-phenyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(2-chloro-4-fluorophenyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(2-chloro-4-fluoro-phenyl)propionamide Formula: C19H28ClFN4O3S MolecularWeight: 446.967023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H28ClFN4O3S/c1-15(19(26)22-18-7-6-16(21)14-17(18)20)23-10-12-25(13-11-23)29(27,28)24-8-4-2-3-5-9-24/h6-7,14-15H,2-5,8-13H2,1H3,(H,22,26)