N',N'-diethyl-N-(4-methylsulfonyl-2-nitro-phenyl)ethane-1,2-diamine

Systemtic Name: N',N'-diethyl-N-(4-methylsulfonyl-2-nitro-phenyl)ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-(4-methylsulfonyl-2-nitro-phenyl)ethane-1,2-diamine CAS Name: N',N'-diethyl-N-(4-methylsulfonyl-2-nitrophenyl)ethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-(4-methylsulfonyl-2-nitrophenyl)ethane-1,2-diamine Traditional Name: diethyl-[2-(4-mesyl-2-nitro-anilino)ethyl]amine Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H21N3O4S/c1-4-15(5-2)9-8-14-12-7-6-11(21(3,19)20)10-13(12)16(17)18/h6-7,10,14H,4-5,8-9H2,1-3H3