5-[bis(2-bromoethyl)amino]-4-methylsulfonyl-2-nitro-benzamide

Systemtic Name: 5-[bis(2-bromoethyl)amino]-4-methylsulfonyl-2-nitro-benzamide Openeye Name: 5-[bis(2-bromoethyl)amino]-4-methylsulfonyl-2-nitro-benzamide CAS Name: 5-[bis(2-bromoethyl)amino]-4-methylsulfonyl-2-nitrobenzamide IUPAC Name: 5-[bis(2-bromoethyl)amino]-4-methylsulfonyl-2-nitrobenzamide Traditional Name: 5-[bis(2-bromoethyl)amino]-4-mesyl-2-nitro-benzamide Formula: C12H15Br2N3O5S MolecularWeight: 473.1376

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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)N(CCBr)CCBr

Isomeric SMILES

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

InChI

InChI=1S/C12H15Br2N3O5S/c1-23(21,22)11-7-9(17(19)20)8(12(15)18)6-10(11)16(4-2-13)5-3-14/h6-7H,2-5H2,1H3,(H2,15,18)