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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-nitrofuran-2-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-nitrofuran-2-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(5-nitro-2-furanyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-nitrofuran-2-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(5-nitro-2-furoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C21H21N5O7S2 MolecularWeight: 519.55074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N5O7S2/c22-12-14-3-1-4-15(11-14)13-23-19(27)20-24(21(28)16-6-7-17(33-16)26(29)30)8-9-25(20)35(31,32)18-5-2-10-34-18/h1-7,10-11,20H,8-9,12-13,22H2,(H,23,27)