2-butyl-3-[[4-[2-(octanoylsulfamoylamino)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-[2-(octanoylsulfamoylamino)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-[2-(octanoylsulfamoylamino)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-[2-(1-oxooctylsulfamoylamino)phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-[2-(octanoylsulfamoylamino)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-[2-(caprylylsulfamoylamino)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C29H38N4O5S MolecularWeight: 554.70082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NS(=O)(=O)NC1=CC=CC=C1C2=CC=C(C=C2)CN3C(=CN=C3CCCC)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NS(=O)(=O)NC1=CC=CC=C1C2=CC=C(C=C2)CN3C(=CN=C3CCCC)C(=O)O

InChI

InChI=1S/C29H38N4O5S/c1-3-5-7-8-9-15-28(34)32-39(37,38)31-25-13-11-10-12-24(25)23-18-16-22(17-19-23)21-33-26(29(35)36)20-30-27(33)14-6-4-2/h10-13,16-20,31H,3-9,14-15,21H2,1-2H3,(H,32,34)(H,35,36)