3-[[butyl-[4-(dicyclohexylsulfamoyl)phenyl]carbonyl-amino]methyl]benzoic acid

Systemtic Name: 3-[[butyl-[4-(dicyclohexylsulfamoyl)phenyl]carbonyl-amino]methyl]benzoic acid Openeye Name: 3-[[butyl-[4-(dicyclohexylsulfamoyl)benzoyl]amino]methyl]benzoic acid CAS Name: 3-[[butyl-[[4-(dicyclohexylsulfamoyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[butyl-[4-(dicyclohexylsulfamoyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 3-[[butyl-[4-(dicyclohexylsulfamoyl)benzoyl]amino]methyl]benzoic acid Formula: C31H42N2O5S MolecularWeight: 554.74058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C3CCCCC3)C4CCCCC4

Isomeric SMILES

CCCCN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C31H42N2O5S/c1-2-3-21-32(23-24-11-10-12-26(22-24)31(35)36)30(34)25-17-19-29(20-18-25)39(37,38)33(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h10-12,17-20,22,27-28H,2-9,13-16,21,23H2,1H3,(H,35,36)