3-[[[4-(1-adamantylsulfamoyl)phenyl]carbonyl-butyl-amino]methyl]benzoic acid

Systemtic Name: 3-[[[4-(1-adamantylsulfamoyl)phenyl]carbonyl-butyl-amino]methyl]benzoic acid Openeye Name: 3-[[[4-(1-adamantylsulfamoyl)benzoyl]-butyl-amino]methyl]benzoic acid CAS Name: 3-[[[[4-(1-adamantylsulfamoyl)phenyl]-oxomethyl]-butylamino]methyl]benzoic acid IUPAC Name: 3-[[[4-(1-adamantylsulfamoyl)benzoyl]-butylamino]methyl]benzoic acid Traditional Name: 3-[[[4-(1-adamantylsulfamoyl)benzoyl]-butyl-amino]methyl]benzoic acid Formula: C29H36N2O5S MolecularWeight: 524.67154

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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)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H36N2O5S/c1-2-3-11-31(19-20-5-4-6-25(15-20)28(33)34)27(32)24-7-9-26(10-8-24)37(35,36)30-29-16-21-12-22(17-29)14-23(13-21)18-29/h4-10,15,21-23,30H,2-3,11-14,16-19H2,1H3,(H,33,34)