2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(2-pyrrolidinophenyl)acetamide Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=CC=C3N4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C23H30N4O3S2/c28-22(25-20-9-3-4-10-21(20)26-13-7-8-14-26)18-31-23-12-11-19(17-24-23)32(29,30)27-15-5-1-2-6-16-27/h3-4,9-12,17H,1-2,5-8,13-16,18H2,(H,25,28)