N-(3-piperidin-1-ylsulfonylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C23H26N6O3S2 MolecularWeight: 498.62094

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C23H26N6O3S2/c1-2-13-29-22(18-9-11-24-12-10-18)26-27-23(29)33-17-21(30)25-19-7-6-8-20(16-19)34(31,32)28-14-4-3-5-15-28/h2,6-12,16H,1,3-5,13-15,17H2,(H,25,30)