3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloranyl-4-cyano-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloranyl-4-cyano-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloro-4-cyano-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-chloro-4-cyanophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloro-4-cyanophenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloro-4-cyano-phenyl)propionamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S/c23-21-15-19(9-8-18(21)16-24)25-22(27)12-7-17-5-10-20(11-6-17)30(28,29)26-13-3-1-2-4-14-26/h5-6,8-11,15H,1-4,7,12-14H2,(H,25,27)