2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclopropyl-2-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclopropyl-2-(4-fluorophenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-cyclopropyl-2-(4-fluorophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-cyclopropyl-2-(4-fluorophenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-cyclopropyl-2-(4-fluorophenyl)acetamide Formula: C22H26FN3O3S2 MolecularWeight: 463.588543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC(C3=CC=C(C=C3)F)C(=O)NC4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC(C3=CC=C(C=C3)F)C(=O)NC4CC4

InChI

InChI=1S/C22H26FN3O3S2/c23-17-7-5-16(6-8-17)21(22(27)25-18-9-10-18)30-20-12-11-19(15-24-20)31(28,29)26-13-3-1-2-4-14-26/h5-8,11-12,15,18,21H,1-4,9-10,13-14H2,(H,25,27)