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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1C)C(=O)OC)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1C)C(=O)OC)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

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