3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-fluorophenyl)methyl]-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-fluorophenyl)methyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorobenzyl)-N-methyl-benzamide Formula: C21H24ClFN2O3S MolecularWeight: 438.943263

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24ClFN2O3S/c1-24(15-16-6-9-18(23)10-7-16)21(26)17-8-11-19(22)20(14-17)29(27,28)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3