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

Systemtic Name: 3-[2-(phenylsulfonylamino)ethyl]-7-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[2-(benzenesulfonamido)ethyl]-7-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[2-(benzenesulfonamido)ethyl]-7-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[2-(benzenesulfonamido)ethyl]-7-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[2-(benzenesulfonamido)ethyl]-7-isopropyl-azulene-1-carboxylic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S/c1-15(2)16-7-6-10-19-17(14-21(22(24)25)20(19)13-16)11-12-23-28(26,27)18-8-4-3-5-9-18/h3-10,13-15,23H,11-12H2,1-2H3,(H,24,25)