2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-chloro-4-fluoro-N-mesyl-anilino)-N-(4-piperidinobenzyl)acetamide Formula: C21H25ClFN3O3S MolecularWeight: 453.957903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCCC2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCCC2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H25ClFN3O3S/c1-30(28,29)26(18-9-10-20(23)19(22)13-18)15-21(27)24-14-16-5-7-17(8-6-16)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,24,27)