1-(2-azidosulfonylethyl)-3-[[3-nonyl-4-oxidanyl-5-(phenylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(2-azidosulfonylethyl)-3-[[3-nonyl-4-oxidanyl-5-(phenylmethyl)phenyl]methyl]urea Openeye Name: 1-(2-azidosulfonylethyl)-3-[(3-benzyl-4-hydroxy-5-nonyl-phenyl)methyl]urea CAS Name: 1-(2-azidosulfonylethyl)-3-[[4-hydroxy-3-nonyl-5-(phenylmethyl)phenyl]methyl]urea IUPAC Name: 1-(2-azidosulfonylethyl)-3-[(3-benzyl-4-hydroxy-5-nonylphenyl)methyl]urea Traditional Name: 1-(2-azidosulfonylethyl)-3-(3-benzyl-4-hydroxy-5-nonyl-benzyl)urea Formula: C26H37N5O4S MolecularWeight: 515.66808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=CC(=C1O)CC2=CC=CC=C2)CNC(=O)NCCS(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCC1=CC(=CC(=C1O)CC2=CC=CC=C2)CNC(=O)NCCS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C26H37N5O4S/c1-2-3-4-5-6-7-11-14-23-18-22(19-24(25(23)32)17-21-12-9-8-10-13-21)20-29-26(33)28-15-16-36(34,35)31-30-27/h8-10,12-13,18-19,32H,2-7,11,14-17,20H2,1H3,(H2,28,29,33)