3-[7-(phenylsulfonylamino)heptyl]-7-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[7-(phenylsulfonylamino)heptyl]-7-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[7-(benzenesulfonamido)heptyl]-7-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[7-(benzenesulfonamido)heptyl]-7-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[7-(benzenesulfonamido)heptyl]-7-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[7-(benzenesulfonamido)heptyl]-7-isopropyl-azulene-1-carboxylic acid Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)O)CCCCCCCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)O)CCCCCCCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H33NO4S/c1-20(2)21-13-11-16-24-22(19-26(27(29)30)25(24)18-21)12-7-4-3-5-10-17-28-33(31,32)23-14-8-6-9-15-23/h6,8-9,11,13-16,18-20,28H,3-5,7,10,12,17H2,1-2H3,(H,29,30)