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

Systemtic Name: 5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-4-methylsulfonyl-2-nitro-benzamide Openeye Name: 5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-4-methylsulfonyl-2-nitro-benzamide CAS Name: 5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-4-methylsulfonyl-2-nitrobenzamide IUPAC Name: 5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-4-methylsulfonyl-2-nitrobenzamide Traditional Name: 5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-4-mesyl-2-nitro-benzamide Formula: C14H19Br2N3O6S MolecularWeight: 517.19016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19Br2N3O6S/c1-26(24,25)13-9-11(19(22)23)10(14(21)17-4-7-20)8-12(13)18(5-2-15)6-3-16/h8-9,20H,2-7H2,1H3,(H,17,21)