2-[(4-methylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylethyl)butanamide

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylethyl)butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-(2-phenylsulfanylethyl)butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[2-(phenylthio)ethyl]butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[2-(phenylthio)ethyl]butyramide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC1=CC=CC=C1)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSC1=CC=CC=C1)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O3S2/c1-4-19(20(23)21-14-15-26-18-8-6-5-7-9-18)22(27(3,24)25)17-12-10-16(2)11-13-17/h5-13,19H,4,14-15H2,1-3H3,(H,21,23)