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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CN=CC=C3

InChI

InChI=1S/C22H29N3O3S/c26-22(24-15-13-20-6-5-14-23-18-20)12-9-19-7-10-21(11-8-19)29(27,28)25-16-3-1-2-4-17-25/h5-8,10-11,14,18H,1-4,9,12-13,15-17H2,(H,24,26)