N-(2-azanylethyl)-1-methylsulfonyl-3-(3-nitrophenyl)carbonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-methylsulfonyl-3-(3-nitrophenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-methylsulfonyl-3-(3-nitrobenzoyl)imidazolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-methylsulfonyl-3-[(3-nitrophenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-methylsulfonyl-3-(3-nitrobenzoyl)imidazolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-mesyl-3-(3-nitrobenzoyl)imidazolidine-2-carboxamide Formula: C14H19N5O6S MolecularWeight: 385.39556

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C1C(=O)NCCN)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NCCN)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O6S/c1-26(24,25)18-8-7-17(13(18)12(20)16-6-5-15)14(21)10-3-2-4-11(9-10)19(22)23/h2-4,9,13H,5-8,15H2,1H3,(H,16,20)