1-(4-azidosulfonylphenyl)-3-[[3-dodecyl-2-(3-methylcyclohexyl)-4-oxidanyl-phenyl]methyl]urea

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[[3-dodecyl-2-(3-methylcyclohexyl)-4-oxidanyl-phenyl]methyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[[3-dodecyl-4-hydroxy-2-(3-methylcyclohexyl)phenyl]methyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[[3-dodecyl-4-hydroxy-2-(3-methylcyclohexyl)phenyl]methyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[[3-dodecyl-4-hydroxy-2-(3-methylcyclohexyl)phenyl]methyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-[4-hydroxy-3-lauryl-2-(3-methylcyclohexyl)benzyl]urea Formula: C33H49N5O4S MolecularWeight: 611.83826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1C2CCCC(C2)C)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-])O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1C2CCCC(C2)C)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-])O

InChI

InChI=1S/C33H49N5O4S/c1-3-4-5-6-7-8-9-10-11-12-16-30-31(39)22-17-27(32(30)26-15-13-14-25(2)23-26)24-35-33(40)36-28-18-20-29(21-19-28)43(41,42)38-37-34/h17-22,25-26,39H,3-16,23-24H2,1-2H3,(H2,35,36,40)