N-(3-imidazol-1-ylpropyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-(3-imidazol-1-ylpropyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate CAS Name: N-[3-(1-imidazolyl)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-(3-imidazol-1-ylpropyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Formula: C19H18N5O5S- MolecularWeight: 428.44172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O5S/c25-19(21-9-2-11-23-12-10-20-14-23)15-5-7-16(8-6-15)22-30(28,29)18-4-1-3-17(13-18)24(26)27/h1,3-8,10,12-14,22H,2,9,11H2,(H,21,25)/p-1