1-[2-azidosulfonyl-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbamoylamino]phenyl]-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)urea

Systemtic Name: 1-[2-azidosulfonyl-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbamoylamino]phenyl]-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)urea Openeye Name: 1-[2-azidosulfonyl-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)carbamoylamino]phenyl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)urea CAS Name: 1-[2-azidosulfonyl-5-[[(3,5-ditert-butyl-4-hydroxyanilino)-oxomethyl]amino]phenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)urea IUPAC Name: 1-[2-azidosulfonyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)carbamoylamino]phenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)urea Traditional Name: 1-[2-azidosulfonyl-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)carbamoylamino]phenyl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)urea Formula: C36H49N7O6S MolecularWeight: 707.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=O)NC2=CC(=C(C=C2)S(=O)(=O)N=[N+]=[N-])NC(=O)NC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=O)NC2=CC(=C(C=C2)S(=O)(=O)N=[N+]=[N-])NC(=O)NC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C36H49N7O6S/c1-33(2,3)23-15-21(16-24(29(23)44)34(4,5)6)39-31(46)38-20-13-14-28(50(48,49)43-42-37)27(19-20)41-32(47)40-22-17-25(35(7,8)9)30(45)26(18-22)36(10,11)12/h13-19,44-45H,1-12H3,(H2,38,39,46)(H2,40,41,47)