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

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzenecarboximidate Openeye Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(3-morpholinopropyl)benzenecarboximidate CAS Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[3-(4-morpholinyl)propyl]benzenecarboximidate IUPAC Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzenecarboximidate Traditional Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(3-morpholinopropyl)benzenecarboximidate Formula: C21H25N4O6S- MolecularWeight: 461.5114

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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(=NCCCN3CCOCC3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NCCCN3CCOCC3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-16-3-8-19(15-20(16)25(27)28)32(29,30)23-18-6-4-17(5-7-18)21(26)22-9-2-10-24-11-13-31-14-12-24/h3-8,15,23H,2,9-14H2,1H3,(H,22,26)/p-1