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

Systemtic Name: 3-[6-(phenylsulfonylamino)hexyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[6-(benzenesulfonamido)hexyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[6-(benzenesulfonamido)hexyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[6-(benzenesulfonamido)hexyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[6-(benzenesulfonamido)hexyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

InChI

InChI=1S/C26H31NO4S/c1-19(2)20-13-15-23-21(18-25(26(28)29)24(23)16-14-20)10-6-3-4-9-17-27-32(30,31)22-11-7-5-8-12-22/h5,7-8,11-16,18-19,27H,3-4,6,9-10,17H2,1-2H3,(H,28,29)