N-[2-[methyl(phenyl)amino]ethyl]-2-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-[2-[methyl(phenyl)amino]ethyl]-2-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-[2-(N-methylanilino)ethyl]-2-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate CAS Name: N-[2-(N-methylanilino)ethyl]-2-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-[2-(N-methylanilino)ethyl]-2-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-[2-(N-methylanilino)ethyl]-2-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Formula: C22H21N4O5S- MolecularWeight: 453.49094

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN=C(C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3

Isomeric SMILES

CN(CCN=C(C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5S/c1-25(17-8-3-2-4-9-17)15-14-23-22(27)20-12-5-6-13-21(20)24-32(30,31)19-11-7-10-18(16-19)26(28)29/h2-13,16,24H,14-15H2,1H3,(H,23,27)/p-1