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

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

Systemtic Name:5-[bis(2-chloroethyl)amino]-4-methylsulfonyl-2-nitro-benzamide
Openeye Name:5-[bis(2-chloroethyl)amino]-4-methylsulfonyl-2-nitro-benzamide
CAS Name:5-[bis(2-chloroethyl)amino]-4-methylsulfonyl-2-nitrobenzamide
IUPAC Name:5-[bis(2-chloroethyl)amino]-4-methylsulfonyl-2-nitrobenzamide
Traditional Name:5-[bis(2-chloroethyl)amino]-4-mesyl-2-nitro-benzamide
Formula: C12H15Cl2N3O5S
MolecularWeight: 384.2356
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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(CCCl)CCCl


Isomeric SMILES

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


InChI

InChI=1S/C12H15Cl2N3O5S/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)


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