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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H22N2O6S/c1-4-9-26-17-8-5-13(10-18(17)25-2)12-19-15-7-6-14(27(3,23)24)11-16(15)20(21)22/h5-8,10-11,19H,4,9,12H2,1-3H3