1-(3-dodecoxypropyl)-3-[[5-methyl-4-methylsulfonyl-2-[3-(methylsulfonylamino)phenyl]-4H-pyrazol-2-ium-3-yl]amino]urea

Systemtic Name: 1-(3-dodecoxypropyl)-3-[[5-methyl-4-methylsulfonyl-2-[3-(methylsulfonylamino)phenyl]-4H-pyrazol-2-ium-3-yl]amino]urea Openeye Name: 1-(3-dodecoxypropyl)-3-[[2-[3-(methanesulfonamido)phenyl]-5-methyl-4-methylsulfonyl-4H-pyrazol-2-ium-3-yl]amino]urea CAS Name: 1-(3-dodecoxypropyl)-3-[[2-[3-(methanesulfonamido)phenyl]-5-methyl-4-methylsulfonyl-4H-pyrazol-2-ium-3-yl]amino]urea IUPAC Name: 1-(3-dodecoxypropyl)-3-[[2-[3-(methanesulfonamido)phenyl]-5-methyl-4-methylsulfonyl-4H-pyrazol-2-ium-3-yl]amino]urea Traditional Name: 1-(3-lauryloxypropyl)-3-[[4-mesyl-2-[3-(methanesulfonamido)phenyl]-5-methyl-4H-pyrazol-2-ium-3-yl]amino]urea Formula: C28H49N6O6S2+ MolecularWeight: 629.85526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)NNC1=[N+](N=C(C1S(=O)(=O)C)C)C2=CC(=CC=C2)NS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)NNC1=[N+](N=C(C1S(=O)(=O)C)C)C2=CC(=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C28H48N6O6S2/c1-5-6-7-8-9-10-11-12-13-14-20-40-21-16-19-29-28(35)31-30-27-26(41(3,36)37)23(2)32-34(27)25-18-15-17-24(22-25)33-42(4,38)39/h15,17-18,22,26,33H,5-14,16,19-21H2,1-4H3,(H2,29,31,35)/p+1