1-[[4,5-diisocyano-2-[4-(methylsulfonylamino)phenyl]sulfonyl-phenyl]amino]-3-ethyl-urea

Systemtic Name: 1-[[4,5-diisocyano-2-[4-(methylsulfonylamino)phenyl]sulfonyl-phenyl]amino]-3-ethyl-urea Openeye Name: 1-[4,5-diisocyano-2-[4-(methanesulfonamido)phenyl]sulfonyl-anilino]-3-ethyl-urea CAS Name: 1-[4,5-diisocyano-2-[4-(methanesulfonamido)phenyl]sulfonylanilino]-3-ethylurea IUPAC Name: 1-[4,5-diisocyano-2-[4-(methanesulfonamido)phenyl]sulfonylanilino]-3-ethylurea Traditional Name: 1-[4,5-diisocyano-2-[4-(methanesulfonamido)phenyl]sulfonyl-anilino]-3-ethyl-urea Formula: C18H18N6O5S2 MolecularWeight: 462.50272

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NNC1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCNC(=O)NNC1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C18H18N6O5S2/c1-5-21-18(25)23-22-16-10-14(19-2)15(20-3)11-17(16)31(28,29)13-8-6-12(7-9-13)24-30(4,26)27/h6-11,22,24H,5H2,1,4H3,(H2,21,23,25)