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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C#N

InChI

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