3-[7-(phenylsulfonylamino)heptyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[7-(phenylsulfonylamino)heptyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[7-(benzenesulfonamido)heptyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[7-(benzenesulfonamido)heptyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[7-(benzenesulfonamido)heptyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[7-(benzenesulfonamido)heptyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

InChI

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