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3-[1-(4-butylphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid

3-[1-(4-butylphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid

Systemtic Name:3-[1-(4-butylphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid
Openeye Name:3-[1-(4-butylphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid
CAS Name:3-[1-(4-butylphenyl)sulfonyl-5-methoxy-3-indolyl]propanoic acid
IUPAC Name:3-[1-(4-butylphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
Traditional Name:3-[1-(4-butylphenyl)sulfonyl-5-methoxy-indol-3-yl]propionic acid
Formula: C22H25NO5S
MolecularWeight: 415.5026
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O


Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O


InChI

InChI=1S/C22H25NO5S/c1-3-4-5-16-6-10-19(11-7-16)29(26,27)23-15-17(8-13-22(24)25)20-14-18(28-2)9-12-21(20)23/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H,24,25)


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