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

Systemtic Name: 2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide CAS Name: 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(4-fluorobenzyl)-mesyl-amino]-N-(4-pyrrolidinosulfonylbenzyl)acetamide Formula: C21H26FN3O5S2 MolecularWeight: 483.576643

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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)N3CCCC3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)F)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26FN3O5S2/c1-31(27,28)25(15-18-4-8-19(22)9-5-18)16-21(26)23-14-17-6-10-20(11-7-17)32(29,30)24-12-2-3-13-24/h4-11H,2-3,12-16H2,1H3,(H,23,26)