2-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl-propyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl-propyl-amino]pyridine-3-carboxylic acid Openeye Name: 2-[[4-[2-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl-propyl-amino]pyridine-3-carboxylic acid CAS Name: 2-[[4-[2-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]phenyl]methyl-propylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl-propylamino]pyridine-3-carboxylic acid Traditional Name: 2-[[4-[2-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]benzyl]-propyl-amino]nicotinic acid Formula: C27H28N4O5S MolecularWeight: 520.60002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)NC3=C(C(=NO3)C)C)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)NC3=C(C(=NO3)C)C)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C27H28N4O5S/c1-4-16-31(25-23(27(32)33)9-7-15-28-25)17-20-11-13-21(14-12-20)22-8-5-6-10-24(22)37(34,35)30-26-18(2)19(3)29-36-26/h5-15,30H,4,16-17H2,1-3H3,(H,32,33)