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N-[1-(1-adamantyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide

N-[1-(1-adamantyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide

Systemtic Name:N-[1-(1-adamantyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide
Openeye Name:N-[1-(1-adamantyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide
CAS Name:N-[1-(1-adamantyl)-3-pyrazolyl]-4-butylbenzenesulfonamide
IUPAC Name:N-[1-(1-adamantyl)pyrazol-3-yl]-4-butylbenzenesulfonamide
Traditional Name:N-[1-(1-adamantyl)pyrazol-3-yl]-4-butyl-benzenesulfonamide
Formula: C23H31N3O2S
MolecularWeight: 413.57614
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C23H31N3O2S/c1-2-3-4-17-5-7-21(8-6-17)29(27,28)25-22-9-10-26(24-22)23-14-18-11-19(15-23)13-20(12-18)16-23/h5-10,18-20H,2-4,11-16H2,1H3,(H,24,25)


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