2-[6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfonyl]ethanoate

Systemtic Name: 2-[6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfonyl]ethanoate Openeye Name: 2-[6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfonyl]acetate CAS Name: 2-[6-(3,4,5-triphenyl-1-pyrazolyl)hexylsulfonyl]acetate IUPAC Name: 2-[6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfonyl]acetate Traditional Name: 2-[6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfonyl]acetate Formula: C29H29N2O4S- MolecularWeight: 501.61656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCS(=O)(=O)CC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCS(=O)(=O)CC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O4S/c32-26(33)22-36(34,35)21-13-2-1-12-20-31-29(25-18-10-5-11-19-25)27(23-14-6-3-7-15-23)28(30-31)24-16-8-4-9-17-24/h3-11,14-19H,1-2,12-13,20-22H2,(H,32,33)/p-1