3-[4-(naphthalen-2-ylsulfonylamino)butyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[4-(naphthalen-2-ylsulfonylamino)butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 6-isopropyl-3-[4-(2-naphthylsulfonylamino)butyl]azulene-1-carboxylic acid CAS Name: 3-[4-(2-naphthalenylsulfonylamino)butyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[4-(naphthalen-2-ylsulfonylamino)butyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 6-isopropyl-3-[4-(2-naphthylsulfonylamino)butyl]azulene-1-carboxylic acid Formula: C28H29NO4S MolecularWeight: 475.59916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O)C=C1

InChI

InChI=1S/C28H29NO4S/c1-19(2)20-11-14-25-23(18-27(28(30)31)26(25)15-12-20)9-5-6-16-29-34(32,33)24-13-10-21-7-3-4-8-22(21)17-24/h3-4,7-8,10-15,17-19,29H,5-6,9,16H2,1-2H3,(H,30,31)