2-aminocarbonyl-4-[bis(2-chloroethyl)amino]-5-methylsulfonyl-N-oxidanyl-benzeneamine oxide

Systemtic Name: 2-aminocarbonyl-4-[bis(2-chloroethyl)amino]-5-methylsulfonyl-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[bis(2-chloroethyl)amino]-2-carbamoyl-N-hydroxy-5-methylsulfonyl-benzeneamine oxide CAS Name: 4-[bis(2-chloroethyl)amino]-2-carbamoyl-N-hydroxy-5-methylsulfonylbenzeneamine oxide IUPAC Name: 4-[bis(2-chloroethyl)amino]-2-carbamoyl-N-hydroxy-5-methylsulfonylbenzeneamine oxide Traditional Name: 4-[bis(2-chloroethyl)amino]-2-carbamoyl-N-hydroxy-5-mesyl-benzeneamine oxide Formula: C12H17Cl2N3O5S MolecularWeight: 386.25148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17Cl2N3O5S/c1-23(21,22)11-7-9(17(19)20)8(12(15)18)6-10(11)16(4-2-13)5-3-14/h6-7,17,19H,2-5H2,1H3,(H2,15,18)