N-(3-imidazol-1-ylpropyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-(3-imidazol-1-ylpropyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate CAS Name: N-[3-(1-imidazolyl)propyl]-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-(3-imidazol-1-ylpropyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Formula: C20H20N5O5S- MolecularWeight: 442.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NCCCN3C=CN=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NCCCN3C=CN=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-15-3-8-18(13-19(15)25(27)28)31(29,30)23-17-6-4-16(5-7-17)20(26)22-9-2-11-24-12-10-21-14-24/h3-8,10,12-14,23H,2,9,11H2,1H3,(H,22,26)/p-1