2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]acetamide CAS Name: 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(4-fluorobenzyl)-mesyl-amino]-N-(4-piperidinosulfonylbenzyl)acetamide Formula: C22H28FN3O5S2 MolecularWeight: 497.603223

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)F)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)F)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28FN3O5S2/c1-32(28,29)26(16-19-5-9-20(23)10-6-19)17-22(27)24-15-18-7-11-21(12-8-18)33(30,31)25-13-3-2-4-14-25/h5-12H,2-4,13-17H2,1H3,(H,24,27)