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2-sulfonyl-7-(3,4,5-triphenylpyrazol-1-yl)heptanoic acid

2-sulfonyl-7-(3,4,5-triphenylpyrazol-1-yl)heptanoic acid

Systemtic Name:2-sulfonyl-7-(3,4,5-triphenylpyrazol-1-yl)heptanoic acid
Openeye Name:2-sulfonyl-7-(3,4,5-triphenylpyrazol-1-yl)heptanoic acid
CAS Name:2-sulfonyl-7-(3,4,5-triphenyl-1-pyrazolyl)heptanoic acid
IUPAC Name:2-sulfonyl-7-(3,4,5-triphenylpyrazol-1-yl)heptanoic acid
Traditional Name:2-sulfonyl-7-(3,4,5-triphenylpyrazol-1-yl)enanthic acid
Formula: C28H26N2O4S
MolecularWeight: 486.58204
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCC(=S(=O)=O)C(=O)O)C4=CC=CC=C4


Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCC(=S(=O)=O)C(=O)O)C4=CC=CC=C4


InChI

InChI=1S/C28H26N2O4S/c31-28(32)24(35(33)34)19-11-4-12-20-30-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(29-30)22-15-7-2-8-16-22/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,31,32)


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