methyl 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O7S/c1-8-19(25(33(7,28)29)16-10-9-14(2)15(3)11-16)22(26)24-18-13-21(31-5)20(30-4)12-17(18)23(27)32-6/h9-13,19H,8H2,1-7H3,(H,24,26)