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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyanophenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyanophenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-cyanophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyanophenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyanophenyl)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c23-17-19-6-5-7-20(16-19)24-22(26)13-10-18-8-11-21(12-9-18)29(27,28)25-14-3-1-2-4-15-25/h5-9,11-12,16H,1-4,10,13-15H2,(H,24,26)