N'-butyl-N-[4-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]phenyl]sulfonyl-carbamimidate

Systemtic Name: N'-butyl-N-[4-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]phenyl]sulfonyl-carbamimidate Openeye Name: N'-butyl-N-[4-[(4-fluoro-2-methyl-phenyl)sulfonylamino]phenyl]sulfonyl-carbamimidate CAS Name: N'-butyl-N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]sulfonylcarbamimidate IUPAC Name: N'-butyl-N-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]sulfonylcarbamimidate Traditional Name: N'-butyl-N-[4-[(4-fluoro-2-methyl-phenyl)sulfonylamino]phenyl]sulfonyl-carbamimidate Formula: C18H21FN3O5S2- MolecularWeight: 442.504843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O5S2/c1-3-4-11-20-18(23)22-28(24,25)16-8-6-15(7-9-16)21-29(26,27)17-10-5-14(19)12-13(17)2/h5-10,12,21H,3-4,11H2,1-2H3,(H2,20,22,23)/p-1