4-phenylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]butanamide

Systemtic Name: 4-phenylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]butanamide Openeye Name: 4-phenylsulfanyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]butanamide CAS Name: 4-(phenylthio)-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]butanamide IUPAC Name: 4-phenylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]butanamide Traditional Name: 4-(phenylthio)-N-(4-piperidinosulfonylbenzyl)butyramide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S2/c25-22(10-7-17-28-20-8-3-1-4-9-20)23-18-19-11-13-21(14-12-19)29(26,27)24-15-5-2-6-16-24/h1,3-4,8-9,11-14H,2,5-7,10,15-18H2,(H,23,25)