3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide CAS Name: 3-[(4-methoxyphenyl)methylthio]-3-methyl-N-methylsulfonyl-N-(1,3,5-trimethyl-4-pyrazolyl)butanamide IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide Traditional Name: N-mesyl-3-methyl-3-(p-anisylthio)-N-(1,3,5-trimethylpyrazol-4-yl)butyramide Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N(C(=O)CC(C)(C)SCC2=CC=C(C=C2)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)N(C(=O)CC(C)(C)SCC2=CC=C(C=C2)OC)S(=O)(=O)C

InChI

InChI=1S/C20H29N3O4S2/c1-14-19(15(2)22(5)21-14)23(29(7,25)26)18(24)12-20(3,4)28-13-16-8-10-17(27-6)11-9-16/h8-11H,12-13H2,1-7H3