N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-2,4-dinitro-benzenesulfonamide

Systemtic Name: N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-2,4-dinitro-benzenesulfonamide Openeye Name: N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-2,4-dinitro-benzenesulfonamide CAS Name: N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-2,4-dinitrobenzenesulfonamide IUPAC Name: N-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-2,4-dinitrobenzenesulfonamide Traditional Name: N-(2-methoxyethyl)-2,4-dinitro-N-p-anisyl-benzenesulfonamide Formula: C17H19N3O8S MolecularWeight: 425.41306

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)OC)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)OC)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O8S/c1-27-10-9-18(12-13-3-6-15(28-2)7-4-13)29(25,26)17-8-5-14(19(21)22)11-16(17)20(23)24/h3-8,11H,9-10,12H2,1-2H3