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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-phenylpropanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-phenyl-propionamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-16(20(24)22-17-9-5-4-6-10-17)27-19-12-11-18(15-21-19)28(25,26)23-13-7-2-3-8-14-23/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3,(H,22,24)