1-butyl-3-[4-[(6-chloranyl-3-nitro-pyridin-2-yl)amino]phenyl]sulfonyl-urea

Systemtic Name: 1-butyl-3-[4-[(6-chloranyl-3-nitro-pyridin-2-yl)amino]phenyl]sulfonyl-urea Openeye Name: 1-butyl-3-[4-[(6-chloro-3-nitro-2-pyridyl)amino]phenyl]sulfonyl-urea CAS Name: 1-butyl-3-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]phenyl]sulfonylurea IUPAC Name: 1-butyl-3-[4-[(6-chloro-3-nitropyridin-2-yl)amino]phenyl]sulfonylurea Traditional Name: 1-butyl-3-[4-[(6-chloro-3-nitro-2-pyridyl)amino]phenyl]sulfonyl-urea Formula: C16H18ClN5O5S MolecularWeight: 427.86262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=CC(=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=CC(=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN5O5S/c1-2-3-10-18-16(23)21-28(26,27)12-6-4-11(5-7-12)19-15-13(22(24)25)8-9-14(17)20-15/h4-9H,2-3,10H2,1H3,(H,19,20)(H2,18,21,23)