2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S2/c1-18-15-21(28(26-18)19-9-5-4-6-10-19)25-22(29)17-32-23-12-11-20(16-24-23)33(30,31)27-13-7-2-3-8-14-27/h4-6,9-12,15-16H,2-3,7-8,13-14,17H2,1H3,(H,25,29)