1-(3-methylphenyl)-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-urea

Systemtic Name: 1-(3-methylphenyl)-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-urea Openeye Name: 1-(m-tolyl)-3-[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]sulfonyl-urea CAS Name: 1-(3-methylphenyl)-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonylurea IUPAC Name: 1-(3-methylphenyl)-3-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonylurea Traditional Name: 1-(m-tolyl)-3-[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]sulfonyl-urea Formula: C30H46N2O4S MolecularWeight: 530.76224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C30H46N2O4S/c1-8-9-10-11-12-13-19-36-26-18-17-24(30(6,7)22-29(3,4)5)21-27(26)37(34,35)32-28(33)31-25-16-14-15-23(2)20-25/h14-18,20-21H,8-13,19,22H2,1-7H3,(H2,31,32,33)