1-(4-methylphenyl)sulfonyl-3-[2,7,7-tris[(4-methylphenyl)sulfonylcarbamoylamino]heptan-2-yl]urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[2,7,7-tris[(4-methylphenyl)sulfonylcarbamoylamino]heptan-2-yl]urea Openeye Name: 1-[1-methyl-1,6,6-tris(p-tolylsulfonylcarbamoylamino)hexyl]-3-(p-tolylsulfonyl)urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[2,7,7-tris[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]heptan-2-yl]urea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[2,7,7-tris[(4-methylphenyl)sulfonylcarbamoylamino]heptan-2-yl]urea Traditional Name: 1-[1-methyl-1,6,6-tris(tosylcarbamoylamino)hexyl]-3-tosyl-urea Formula: C39H48N8O12S4 MolecularWeight: 949.10482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCC(C)(NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)NC(=O)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCC(C)(NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)NC(=O)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C39H48N8O12S4/c1-26-9-17-30(18-10-26)60(52,53)44-35(48)40-34(41-36(49)45-61(54,55)31-19-11-27(2)12-20-31)8-6-7-25-39(5,42-37(50)46-62(56,57)32-21-13-28(3)14-22-32)43-38(51)47-63(58,59)33-23-15-29(4)16-24-33/h9-24,34H,6-8,25H2,1-5H3,(H2,40,44,48)(H2,41,45,49)(H2,42,46,50)(H2,43,47,51)