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3-[5-(phenylsulfonylamino)pentyl]azulene-1-carboxylic acid

3-[5-(phenylsulfonylamino)pentyl]azulene-1-carboxylic acid

Systemtic Name:3-[5-(phenylsulfonylamino)pentyl]azulene-1-carboxylic acid
Openeye Name:3-[5-(benzenesulfonamido)pentyl]azulene-1-carboxylic acid
CAS Name:3-[5-(benzenesulfonamido)pentyl]-1-azulenecarboxylic acid
IUPAC Name:3-[5-(benzenesulfonamido)pentyl]azulene-1-carboxylic acid
Traditional Name:3-[5-(benzenesulfonamido)pentyl]azulene-1-carboxylic acid
Formula: C22H23NO4S
MolecularWeight: 397.48732
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCCCC2=C3C=CC=CC=C3C(=C2)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCCCC2=C3C=CC=CC=C3C(=C2)C(=O)O


InChI

InChI=1S/C22H23NO4S/c24-22(25)21-16-17(19-13-7-2-8-14-20(19)21)10-4-3-9-15-23-28(26,27)18-11-5-1-6-12-18/h1-2,5-8,11-14,16,23H,3-4,9-10,15H2,(H,24,25)


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