3-[(4-hydroxyphenyl)carbonylamino]-4-[4-(2-phenylmethoxyphenoxy)sulfonylphenyl]carbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-[4-(2-phenylmethoxyphenoxy)sulfonylphenyl]carbonyloxy-azepane-1-carboxylic acid Openeye Name: 4-[4-(2-benzyloxyphenoxy)sulfonylbenzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[oxo-[4-(2-phenylmethoxyphenoxy)sulfonylphenyl]methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-[4-(2-phenylmethoxyphenoxy)sulfonylbenzoyl]oxyazepane-1-carboxylic acid Traditional Name: 4-[4-(2-benzoxyphenoxy)sulfonylbenzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C34H32N2O10S MolecularWeight: 660.69028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C34H32N2O10S/c37-26-16-12-24(13-17-26)32(38)35-28-21-36(34(40)41)20-6-11-29(28)45-33(39)25-14-18-27(19-15-25)47(42,43)46-31-10-5-4-9-30(31)44-22-23-7-2-1-3-8-23/h1-5,7-10,12-19,28-29,37H,6,11,20-22H2,(H,35,38)(H,40,41)