N-[[3-(aminomethyl)phenyl]methyl]-1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(pyridine-4-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[oxo(pyridin-4-yl)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(pyridine-4-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-isonicotinoyl-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=NC=C2)C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC=NC=C2)C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H23N5O4S2/c23-14-16-3-1-4-17(13-16)15-25-20(28)21-26(22(29)18-6-8-24-9-7-18)10-11-27(21)33(30,31)19-5-2-12-32-19/h1-9,12-13,21H,10-11,14-15,23H2,(H,25,28)