3-[4-(phenylsulfonylamino)butyl]azulene-1-carboxylic acid

Systemtic Name: 3-[4-(phenylsulfonylamino)butyl]azulene-1-carboxylic acid Openeye Name: 3-[4-(benzenesulfonamido)butyl]azulene-1-carboxylic acid CAS Name: 3-[4-(benzenesulfonamido)butyl]-1-azulenecarboxylic acid IUPAC Name: 3-[4-(benzenesulfonamido)butyl]azulene-1-carboxylic acid Traditional Name: 3-[4-(benzenesulfonamido)butyl]azulene-1-carboxylic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCCC2=C3C=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCCC2=C3C=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C21H21NO4S/c23-21(24)20-15-16(18-12-5-2-6-13-19(18)20)9-7-8-14-22-27(25,26)17-10-3-1-4-11-17/h1-6,10-13,15,22H,7-9,14H2,(H,23,24)