N-[[3-(aminomethyl)phenyl]methyl]-1-(5-bromanylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-bromanylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-bromopyridine-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-bromopyridine-3-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(5-bromonicotinoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C22H22BrN5O4S2 MolecularWeight: 564.47518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O4S2/c23-18-10-17(13-25-14-18)22(30)27-6-7-28(34(31,32)19-5-2-8-33-19)21(27)20(29)26-12-16-4-1-3-15(9-16)11-24/h1-5,8-10,13-14,21H,6-7,11-12,24H2,(H,26,29)