N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine

Systemtic Name: N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine Openeye Name: N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine CAS Name: N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine IUPAC Name: N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine Traditional Name: 1-(4-mesylphenyl)ethyl-methyl-(2-nitrobenzyl)amine Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S/c1-13(14-8-10-16(11-9-14)24(3,22)23)18(2)12-15-6-4-5-7-17(15)19(20)21/h4-11,13H,12H2,1-3H3