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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S2/c1-18(2)25(19-10-6-5-7-11-19)22(26)17-29-21-13-12-20(16-23-21)30(27,28)24-14-8-3-4-9-15-24/h5-7,10-13,16,18H,3-4,8-9,14-15,17H2,1-2H3