3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloranylpyridin-2-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloranylpyridin-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloro-2-pyridyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(5-chloro-2-pyridinyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloropyridin-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-chloro-2-pyridyl)propionamide Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c21-17-8-11-19(22-15-17)23-20(25)12-7-16-5-9-18(10-6-16)28(26,27)24-13-3-1-2-4-14-24/h5-6,8-11,15H,1-4,7,12-14H2,(H,22,23,25)