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3-[7-(phenylsulfonylamino)heptyl]azulene-1-carboxylic acid

3-[7-(phenylsulfonylamino)heptyl]azulene-1-carboxylic acid

Systemtic Name:3-[7-(phenylsulfonylamino)heptyl]azulene-1-carboxylic acid
Openeye Name:3-[7-(benzenesulfonamido)heptyl]azulene-1-carboxylic acid
CAS Name:3-[7-(benzenesulfonamido)heptyl]-1-azulenecarboxylic acid
IUPAC Name:3-[7-(benzenesulfonamido)heptyl]azulene-1-carboxylic acid
Traditional Name:3-[7-(benzenesulfonamido)heptyl]azulene-1-carboxylic acid
Formula: C24H27NO4S
MolecularWeight: 425.54048
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCCCCCC2=C3C=CC=CC=C3C(=C2)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCCCCCC2=C3C=CC=CC=C3C(=C2)C(=O)O


InChI

InChI=1S/C24H27NO4S/c26-24(27)23-18-19(21-15-9-5-10-16-22(21)23)12-6-2-1-3-11-17-25-30(28,29)20-13-7-4-8-14-20/h4-5,7-10,13-16,18,25H,1-3,6,11-12,17H2,(H,26,27)


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