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

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[(3-methyl-4-oxidanyl-5-propan-2-yl-phenyl)methyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[(4-hydroxy-3-isopropyl-5-methyl-phenyl)methyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-(4-hydroxy-3-isopropyl-5-methyl-benzyl)urea Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-])C(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-])C(C)C)O

InChI

InChI=1S/C18H21N5O4S/c1-11(2)16-9-13(8-12(3)17(16)24)10-20-18(25)21-14-4-6-15(7-5-14)28(26,27)23-22-19/h4-9,11,24H,10H2,1-3H3,(H2,20,21,25)