4-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 4-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-phenylsulfanyl-N-[3-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 4-(phenylthio)-N-[3-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(phenylthio)-N-(3-piperidinosulfonylphenyl)butyramide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c24-21(13-8-16-27-19-10-3-1-4-11-19)22-18-9-7-12-20(17-18)28(25,26)23-14-5-2-6-15-23/h1,3-4,7,9-12,17H,2,5-6,8,13-16H2,(H,22,24)