N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-4-(4-methylsulfanylphenyl)-4-oxo-butanamide CAS Name: N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-4-[4-(methylthio)phenyl]-4-oxobutanamide IUPAC Name: N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]-4-(4-methylsulfanylphenyl)-4-oxobutanamide Traditional Name: N-[[3-(dimethylamino)phenyl]-(4-mesylphenyl)methyl]-4-keto-4-[4-(methylthio)phenyl]butyramide Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(C2=CC=C(C=C2)S(=O)(=O)C)NC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(C2=CC=C(C=C2)S(=O)(=O)C)NC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C27H30N2O4S2/c1-29(2)22-7-5-6-21(18-22)27(20-10-14-24(15-11-20)35(4,32)33)28-26(31)17-16-25(30)19-8-12-23(34-3)13-9-19/h5-15,18,27H,16-17H2,1-4H3,(H,28,31)