2-[4-(1-adamantylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-(1-adamantylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(1-adamantylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-(1-adamantylsulfamoyl)phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(1-adamantylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(1-adamantylsulfamoyl)phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C30H38N2O4S MolecularWeight: 522.69872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C30H38N2O4S/c33-29(34)28(12-5-21-3-8-26(9-4-21)32-13-1-2-14-32)25-6-10-27(11-7-25)37(35,36)31-30-18-22-15-23(19-30)17-24(16-22)20-30/h3-4,6-11,22-24,28,31H,1-2,5,12-20H2,(H,33,34)