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

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[2-(3-ethyl-4-oxidanyl-5-propan-2-yl-phenyl)ethyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[2-(3-ethyl-4-hydroxy-5-isopropyl-phenyl)ethyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[2-(3-ethyl-4-hydroxy-5-propan-2-ylphenyl)ethyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[2-(3-ethyl-4-hydroxy-5-propan-2-ylphenyl)ethyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-[2-(3-ethyl-4-hydroxy-5-isopropyl-phenyl)ethyl]urea Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)CCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-])C(C)C)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)CCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-])C(C)C)O

InChI

InChI=1S/C20H25N5O4S/c1-4-15-11-14(12-18(13(2)3)19(15)26)9-10-22-20(27)23-16-5-7-17(8-6-16)30(28,29)25-24-21/h5-8,11-13,26H,4,9-10H2,1-3H3,(H2,22,23,27)