methyl 3-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-4-methylbenzoate Traditional Name: 3-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-7-20(24(30(6,27)28)18-11-9-14(2)16(4)12-18)21(25)23-19-13-17(22(26)29-5)10-8-15(19)3/h8-13,20H,7H2,1-6H3,(H,23,25)