1-(4-azidosulfonylphenyl)-3-[3-[3-cyclohexyl-4-oxidanyl-5-(phenylmethyl)phenyl]propyl]urea

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[3-[3-cyclohexyl-4-oxidanyl-5-(phenylmethyl)phenyl]propyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[3-(3-benzyl-5-cyclohexyl-4-hydroxy-phenyl)propyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[3-[3-cyclohexyl-4-hydroxy-5-(phenylmethyl)phenyl]propyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[3-(3-benzyl-5-cyclohexyl-4-hydroxyphenyl)propyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-[3-(3-benzyl-5-cyclohexyl-4-hydroxy-phenyl)propyl]urea Formula: C29H33N5O4S MolecularWeight: 547.66842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=CC(=C2O)CC3=CC=CC=C3)CCCNC(=O)NC4=CC=C(C=C4)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

C1CCC(CC1)C2=CC(=CC(=C2O)CC3=CC=CC=C3)CCCNC(=O)NC4=CC=C(C=C4)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C29H33N5O4S/c30-33-34-39(37,38)26-15-13-25(14-16-26)32-29(36)31-17-7-10-22-19-24(18-21-8-3-1-4-9-21)28(35)27(20-22)23-11-5-2-6-12-23/h1,3-4,8-9,13-16,19-20,23,35H,2,5-7,10-12,17-18H2,(H2,31,32,36)