2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]butyramide Formula: C23H32N2O3S2 MolecularWeight: 448.64178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSCC1=CC=CC(=C1)C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC=CC(=C1)C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C23H32N2O3S2/c1-6-22(25(30(5,27)28)21-11-10-18(3)19(4)15-21)23(26)24-12-13-29-16-20-9-7-8-17(2)14-20/h7-11,14-15,22H,6,12-13,16H2,1-5H3,(H,24,26)