1-butyl-3-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]sulfonyl-urea

Systemtic Name: 1-butyl-3-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]sulfonyl-urea Openeye Name: 1-butyl-3-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]sulfonyl-urea CAS Name: 1-butyl-3-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]sulfonylurea IUPAC Name: 1-butyl-3-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]sulfonylurea Traditional Name: 1-butyl-3-[4-[(7-nitrobenzofurazan-4-yl)amino]phenyl]sulfonyl-urea Formula: C17H18N6O6S MolecularWeight: 434.42642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O6S/c1-2-3-10-18-17(24)22-30(27,28)12-6-4-11(5-7-12)19-13-8-9-14(23(25)26)16-15(13)20-29-21-16/h4-9,19H,2-3,10H2,1H3,(H2,18,22,24)