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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-fluorophenyl)carbonyl-3-propylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-fluorobenzoyl)-3-propylsulfonyl-imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(4-fluorophenyl)-oxomethyl]-3-propylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-fluorobenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(4-fluorobenzoyl)-3-propylsulfonyl-imidazolidine-2-carboxamide Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O4S/c1-2-12-32(30,31)27-11-10-26(22(29)18-6-8-19(23)9-7-18)21(27)20(28)25-15-17-5-3-4-16(13-17)14-24/h3-9,13,21H,2,10-12,14-15,24H2,1H3,(H,25,28)