1-[2,5-bis(azidosulfonyl)phenyl]-3-[4-oxidanyl-3-(phenylmethyl)-5-propyl-phenyl]urea

Systemtic Name: 1-[2,5-bis(azidosulfonyl)phenyl]-3-[4-oxidanyl-3-(phenylmethyl)-5-propyl-phenyl]urea Openeye Name: 1-(3-benzyl-4-hydroxy-5-propyl-phenyl)-3-[2,5-bis(azidosulfonyl)phenyl]urea CAS Name: 1-[2,5-bis(azidosulfonyl)phenyl]-3-[4-hydroxy-3-(phenylmethyl)-5-propylphenyl]urea IUPAC Name: 1-(3-benzyl-4-hydroxy-5-propylphenyl)-3-[2,5-bis(azidosulfonyl)phenyl]urea Traditional Name: 1-(3-benzyl-4-hydroxy-5-propyl-phenyl)-3-[2,5-bis(azidosulfonyl)phenyl]urea Formula: C23H22N8O6S2 MolecularWeight: 570.60078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N=[N+]=[N-])S(=O)(=O)N=[N+]=[N-])CC3=CC=CC=C3)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N=[N+]=[N-])S(=O)(=O)N=[N+]=[N-])CC3=CC=CC=C3)O

InChI

InChI=1S/C23H22N8O6S2/c1-2-6-16-12-18(13-17(22(16)32)11-15-7-4-3-5-8-15)26-23(33)27-20-14-19(38(34,35)30-28-24)9-10-21(20)39(36,37)31-29-25/h3-5,7-10,12-14,32H,2,6,11H2,1H3,(H2,26,27,33)