4-(azepan-1-ylsulfonyl)-N-(2-pyridin-4-ylethyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyridin-4-ylethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(4-pyridyl)ethyl]benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-pyridin-4-ylethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyridin-4-ylethyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(4-pyridyl)ethyl]benzenesulfonamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S2/c23-27(24,21-14-11-17-9-12-20-13-10-17)18-5-7-19(8-6-18)28(25,26)22-15-3-1-2-4-16-22/h5-10,12-13,21H,1-4,11,14-16H2