1-butyl-3-[4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]phenyl]sulfonyl-urea

Systemtic Name: 1-butyl-3-[4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]phenyl]sulfonyl-urea Openeye Name: 1-butyl-3-[4-[(4-chloro-3-nitro-phenyl)sulfonylamino]phenyl]sulfonyl-urea CAS Name: 1-butyl-3-[4-[(4-chloro-3-nitrophenyl)sulfonylamino]phenyl]sulfonylurea IUPAC Name: 1-butyl-3-[4-[(4-chloro-3-nitrophenyl)sulfonylamino]phenyl]sulfonylurea Traditional Name: 1-butyl-3-[4-[(4-chloro-3-nitro-phenyl)sulfonylamino]phenyl]sulfonyl-urea Formula: C17H19ClN4O7S2 MolecularWeight: 490.93836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O7S2/c1-2-3-10-19-17(23)21-30(26,27)13-6-4-12(5-7-13)20-31(28,29)14-8-9-15(18)16(11-14)22(24)25/h4-9,11,20H,2-3,10H2,1H3,(H2,19,21,23)