5-(aziridin-1-yl)-4-methylsulfonyl-2-nitro-benzamide

Systemtic Name: 5-(aziridin-1-yl)-4-methylsulfonyl-2-nitro-benzamide Openeye Name: 5-(aziridin-1-yl)-4-methylsulfonyl-2-nitro-benzamide CAS Name: 5-(1-aziridinyl)-4-methylsulfonyl-2-nitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-4-methylsulfonyl-2-nitrobenzamide Traditional Name: 5-ethylenimino-4-mesyl-2-nitro-benzamide Formula: C10H11N3O5S MolecularWeight: 285.27644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N)N2CC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N)N2CC2

InChI

InChI=1S/C10H11N3O5S/c1-19(17,18)9-5-7(13(15)16)6(10(11)14)4-8(9)12-2-3-12/h4-5H,2-3H2,1H3,(H2,11,14)