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1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]propane-1-sulfonic acid

1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]propane-1-sulfonic acid

Systemtic Name:1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]propane-1-sulfonic acid
Openeye Name:1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]propane-1-sulfonic acid
CAS Name:1-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-1-propanesulfonic acid
IUPAC Name:1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]propane-1-sulfonic acid
Traditional Name:1-[3-(4-cyanobenzyl)imidazol-4-yl]propane-1-sulfonic acid
Formula: C14H15N3O3S
MolecularWeight: 305.3522
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN=CN1CC2=CC=C(C=C2)C#N)S(=O)(=O)O


Isomeric SMILES

CCC(C1=CN=CN1CC2=CC=C(C=C2)C#N)S(=O)(=O)O


InChI

InChI=1S/C14H15N3O3S/c1-2-14(21(18,19)20)13-8-16-10-17(13)9-12-5-3-11(7-15)4-6-12/h3-6,8,10,14H,2,9H2,1H3,(H,18,19,20)


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