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

Systemtic Name: N-butyl-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-butyl-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate CAS Name: N-butyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-butyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-butyl-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Formula: C18H20N3O5S- MolecularWeight: 390.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCN=C(C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H21N3O5S/c1-3-4-11-19-18(22)14-6-8-15(9-7-14)20-27(25,26)16-10-5-13(2)17(12-16)21(23)24/h5-10,12,20H,3-4,11H2,1-2H3,(H,19,22)/p-1