6-propan-2-yl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butyl]azulene-1-sulfonic acid

Systemtic Name: 6-propan-2-yl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butyl]azulene-1-sulfonic acid Openeye Name: 6-isopropyl-3-[4-(tetralin-6-ylsulfonylamino)butyl]azulene-1-sulfonic acid CAS Name: 6-propan-2-yl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butyl]-1-azulenesulfonic acid IUPAC Name: 6-propan-2-yl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butyl]azulene-1-sulfonic acid Traditional Name: 6-isopropyl-3-[4-(tetralin-6-ylsulfonylamino)butyl]azulene-1-sulfonic acid Formula: C27H33NO5S2 MolecularWeight: 515.68462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)O)CCCCNS(=O)(=O)C3=CC4=C(CCCC4)C=C3)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)O)CCCCNS(=O)(=O)C3=CC4=C(CCCC4)C=C3)C=C1

InChI

InChI=1S/C27H33NO5S2/c1-19(2)20-11-14-25-23(18-27(35(31,32)33)26(25)15-12-20)9-5-6-16-28-34(29,30)24-13-10-21-7-3-4-8-22(21)17-24/h10-15,17-19,28H,3-9,16H2,1-2H3,(H,31,32,33)