N-(4-methylsulfanylphenyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4-methylsulfanylphenyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-methylsulfanylphenyl)butanamide CAS Name: N-[4-(methylthio)phenyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-methylsulfanylphenyl)butanamide Traditional Name: 4-benzylsulfonyl-N-[4-(methylthio)phenyl]butyramide Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S2/c1-23-17-11-9-16(10-12-17)19-18(20)8-5-13-24(21,22)14-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,19,20)