1-(2-azidosulfonylethyl)-3-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]urea

Systemtic Name: 1-(2-azidosulfonylethyl)-3-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]urea Openeye Name: 1-(2-azidosulfonylethyl)-3-[(4-hydroxy-3,5-diisopropyl-phenyl)methyl]urea CAS Name: 1-(2-azidosulfonylethyl)-3-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]urea IUPAC Name: 1-(2-azidosulfonylethyl)-3-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]urea Traditional Name: 1-(2-azidosulfonylethyl)-3-(4-hydroxy-3,5-diisopropyl-benzyl)urea Formula: C16H25N5O4S MolecularWeight: 383.4658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)C(C)C)CNC(=O)NCCS(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)CNC(=O)NCCS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C16H25N5O4S/c1-10(2)13-7-12(8-14(11(3)4)15(13)22)9-19-16(23)18-5-6-26(24,25)21-20-17/h7-8,10-11,22H,5-6,9H2,1-4H3,(H2,18,19,23)