1-(4-azidosulfonylphenyl)-3-[[3-tert-butyl-4-oxidanyl-5-(phenylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[[3-tert-butyl-4-oxidanyl-5-(phenylmethyl)phenyl]methyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[(3-benzyl-5-tert-butyl-4-hydroxy-phenyl)methyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[[3-tert-butyl-4-hydroxy-5-(phenylmethyl)phenyl]methyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[(3-benzyl-5-tert-butyl-4-hydroxyphenyl)methyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-(3-benzyl-5-tert-butyl-4-hydroxy-benzyl)urea Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)CC2=CC=CC=C2)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)CC2=CC=CC=C2)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C25H27N5O4S/c1-25(2,3)22-15-18(14-19(23(22)31)13-17-7-5-4-6-8-17)16-27-24(32)28-20-9-11-21(12-10-20)35(33,34)30-29-26/h4-12,14-15,31H,13,16H2,1-3H3,(H2,27,28,32)