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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C20H23N7O3S2 MolecularWeight: 473.57172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C20H23N7O3S2/c21-27-19(15-6-5-9-22-13-15)24-25-20(27)31-14-18(28)23-16-7-4-8-17(12-16)32(29,30)26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14,21H2,(H,23,28)