1-(4-azidosulfonylphenyl)-3-[2-[3,5-di(octan-2-yl)-4-oxidanyl-phenyl]ethyl]urea

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[2-[3,5-di(octan-2-yl)-4-oxidanyl-phenyl]ethyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[2-[4-hydroxy-3,5-bis(1-methylheptyl)phenyl]ethyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[2-[4-hydroxy-3,5-di(octan-2-yl)phenyl]ethyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[2-[4-hydroxy-3,5-di(octan-2-yl)phenyl]ethyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-[2-[4-hydroxy-3,5-bis(1-methylheptyl)phenyl]ethyl]urea Formula: C31H47N5O4S MolecularWeight: 585.80098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC(=CC(=C1O)C(C)CCCCCC)CCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCC(C)C1=CC(=CC(=C1O)C(C)CCCCCC)CCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C31H47N5O4S/c1-5-7-9-11-13-23(3)28-21-25(22-29(30(28)37)24(4)14-12-10-8-6-2)19-20-33-31(38)34-26-15-17-27(18-16-26)41(39,40)36-35-32/h15-18,21-24,37H,5-14,19-20H2,1-4H3,(H2,33,34,38)