N,N-diethyl-2-(2-methyl-5-nitro-phenyl)sulfonyl-ethanamine

Systemtic Name: N,N-diethyl-2-(2-methyl-5-nitro-phenyl)sulfonyl-ethanamine Openeye Name: N,N-diethyl-2-(2-methyl-5-nitro-phenyl)sulfonyl-ethanamine CAS Name: N,N-diethyl-2-(2-methyl-5-nitrophenyl)sulfonylethanamine IUPAC Name: N,N-diethyl-2-(2-methyl-5-nitrophenyl)sulfonylethanamine Traditional Name: diethyl-[2-(2-methyl-5-nitro-phenyl)sulfonylethyl]amine Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S/c1-4-14(5-2)8-9-20(18,19)13-10-12(15(16)17)7-6-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3