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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-nitrophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-nitrobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(4-nitrophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(4-nitrobenzoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(4-nitrobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C23H23N5O6S2 MolecularWeight: 529.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H23N5O6S2/c24-14-16-3-1-4-17(13-16)15-25-21(29)22-26(23(30)18-6-8-19(9-7-18)28(31)32)10-11-27(22)36(33,34)20-5-2-12-35-20/h1-9,12-13,22H,10-11,14-15,24H2,(H,25,29)