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

Systemtic Name: 1-(4-azidosulfonylphenyl)-3-[4-[4-oxidanyl-3-(phenylmethyl)-5-propan-2-yl-phenyl]butyl]urea Openeye Name: 1-(4-azidosulfonylphenyl)-3-[4-(3-benzyl-4-hydroxy-5-isopropyl-phenyl)butyl]urea CAS Name: 1-(4-azidosulfonylphenyl)-3-[4-[4-hydroxy-3-(phenylmethyl)-5-propan-2-ylphenyl]butyl]urea IUPAC Name: 1-(4-azidosulfonylphenyl)-3-[4-(3-benzyl-4-hydroxy-5-propan-2-ylphenyl)butyl]urea Traditional Name: 1-(4-azidosulfonylphenyl)-3-[4-(3-benzyl-4-hydroxy-5-isopropyl-phenyl)butyl]urea Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O4S/c1-19(2)25-18-21(17-22(26(25)33)16-20-8-4-3-5-9-20)10-6-7-15-29-27(34)30-23-11-13-24(14-12-23)37(35,36)32-31-28/h3-5,8-9,11-14,17-19,33H,6-7,10,15-16H2,1-2H3,(H2,29,30,34)