2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[4-(pyrrolidinomethyl)benzyl]acetamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=C(C=C1)CN2CCCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)NCC1=CC=C(C=C1)CN2CCCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-24(29(27,28)20-10-8-19(22)9-11-20)16-21(26)23-14-17-4-6-18(7-5-17)15-25-12-2-3-13-25/h4-11H,2-3,12-16H2,1H3,(H,23,26)