3-[[4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylamino]adamantane-1-carboxylic acid

Systemtic Name: 3-[[4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylamino]adamantane-1-carboxylic acid Openeye Name: 3-[[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]phenyl]sulfonylamino]adamantane-1-carboxylic acid CAS Name: 3-[[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]phenyl]sulfonylamino]-1-adamantanecarboxylic acid IUPAC Name: 3-[[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylamino]adamantane-1-carboxylic acid Traditional Name: 3-[[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]phenyl]sulfonylamino]adamantane-1-carboxylic acid Formula: C31H38N2O6S MolecularWeight: 566.70822

Click to see the large picture

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)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)C(=O)O

InChI

InChI=1S/C31H38N2O6S/c34-28(35)27(12-5-21-3-8-25(9-4-21)33-13-1-2-14-33)24-6-10-26(11-7-24)40(38,39)32-31-18-22-15-23(19-31)17-30(16-22,20-31)29(36)37/h3-4,6-11,22-23,27,32H,1-2,5,12-20H2,(H,34,35)(H,36,37)