N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dinitro-aniline

Systemtic Name: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dinitro-aniline Openeye Name: N-[(2-morpholinosulfonylphenyl)methyl]-2,4-dinitro-aniline CAS Name: N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-2,4-dinitroaniline IUPAC Name: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(2-morpholinosulfonylbenzyl)amine Formula: C17H18N4O7S MolecularWeight: 422.41242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c22-20(23)14-5-6-15(16(11-14)21(24)25)18-12-13-3-1-2-4-17(13)29(26,27)19-7-9-28-10-8-19/h1-6,11,18H,7-10,12H2