N-[[3-(aminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-3-propylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-3-propylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-3-propylsulfonyl-imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-3-propylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(4-fluorophenyl)sulfonyl-3-propylsulfonyl-imidazolidine-2-carboxamide Formula: C21H27FN4O5S2 MolecularWeight: 498.591283

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(C1C(=O)NCC2=CC=CC(=C2)CN)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCS(=O)(=O)N1CCN(C1C(=O)NCC2=CC=CC(=C2)CN)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4O5S2/c1-2-12-32(28,29)25-10-11-26(33(30,31)19-8-6-18(22)7-9-19)21(25)20(27)24-15-17-5-3-4-16(13-17)14-23/h3-9,13,21H,2,10-12,14-15,23H2,1H3,(H,24,27)