1-[(4,5-diisocyano-2-methylsulfonyl-phenyl)amino]-3-(2-octyldodecyl)urea

Systemtic Name: 1-[(4,5-diisocyano-2-methylsulfonyl-phenyl)amino]-3-(2-octyldodecyl)urea Openeye Name: 1-(4,5-diisocyano-2-methylsulfonyl-anilino)-3-(2-octyldodecyl)urea CAS Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-(2-octyldodecyl)urea IUPAC Name: 1-(4,5-diisocyano-2-methylsulfonylanilino)-3-(2-octyldodecyl)urea Traditional Name: 1-(4,5-diisocyano-2-mesyl-anilino)-3-(2-octyldodecyl)urea Formula: C30H49N5O3S MolecularWeight: 559.80676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])S(=O)(=O)C

InChI

InChI=1S/C30H49N5O3S/c1-6-8-10-12-14-15-17-19-21-25(20-18-16-13-11-9-7-2)24-33-30(36)35-34-28-22-26(31-3)27(32-4)23-29(28)39(5,37)38/h22-23,25,34H,6-21,24H2,1-2,5H3,(H2,33,35,36)