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

Systemtic Name: N-(3-morpholin-4-ylpropyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-(3-morpholinopropyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate CAS Name: N-[3-(4-morpholinyl)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-(3-morpholinopropyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Formula: C20H23N4O6S- MolecularWeight: 447.48482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN=C(C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCCN1CCCN=C(C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H24N4O6S/c25-20(21-9-2-10-23-11-13-30-14-12-23)16-5-7-17(8-6-16)22-31(28,29)19-4-1-3-18(15-19)24(26)27/h1,3-8,15,22H,2,9-14H2,(H,21,25)/p-1