N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-ethoxy-3-methoxy-benzyl)-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H22N2O6S/c1-5-26-17-9-6-13(10-18(17)25-3)12-19(2)15-8-7-14(27(4,23)24)11-16(15)20(21)22/h6-11H,5,12H2,1-4H3