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

Systemtic Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[3,5-di(octan-2-yl)-4-oxidanyl-phenyl]urea Openeye Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-hydroxy-3,5-bis(1-methylheptyl)phenyl]urea CAS Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-hydroxy-3,5-di(octan-2-yl)phenyl]urea IUPAC Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-hydroxy-3,5-di(octan-2-yl)phenyl]urea Traditional Name: 1-[4-(4-azidosulfonylphenoxy)phenyl]-3-[4-hydroxy-3,5-bis(1-methylheptyl)phenyl]urea Formula: C35H47N5O5S MolecularWeight: 649.84318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC(=CC(=C1O)C(C)CCCCCC)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCC(C)C1=CC(=CC(=C1O)C(C)CCCCCC)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C35H47N5O5S/c1-5-7-9-11-13-25(3)32-23-28(24-33(34(32)41)26(4)14-12-10-8-6-2)38-35(42)37-27-15-17-29(18-16-27)45-30-19-21-31(22-20-30)46(43,44)40-39-36/h15-26,41H,5-14H2,1-4H3,(H2,37,38,42)