3-(phenylmethylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(phenylmethylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-benzylsulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-(phenylmethylthio)-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-benzylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(benzylthio)-N-(4-piperidinosulfonylphenyl)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSCC3=CC=CC=C3

InChI

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