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

Systemtic Name: 3-[6-(phenylsulfonylamino)hexyl]-7-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[6-(benzenesulfonamido)hexyl]-7-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[6-(benzenesulfonamido)hexyl]-7-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[6-(benzenesulfonamido)hexyl]-7-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[6-(benzenesulfonamido)hexyl]-7-isopropyl-azulene-1-carboxylic acid Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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