3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-pyridin-2-ylethyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-pyridin-2-ylethyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2-pyridyl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[1-(2-pyridinyl)ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-pyridin-2-ylethyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2-pyridyl)ethyl]propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CC=N1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18(21-8-4-5-15-23-21)24-22(26)14-11-19-9-12-20(13-10-19)29(27,28)25-16-6-2-3-7-17-25/h4-5,8-10,12-13,15,18H,2-3,6-7,11,14,16-17H2,1H3,(H,24,26)