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

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-[2-(N-mesyl-4-methyl-anilino)butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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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)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)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O7S/c1-7-18(24(32(6,27)28)15-10-8-14(2)9-11-15)21(25)23-17-13-20(30-4)19(29-3)12-16(17)22(26)31-5/h8-13,18H,7H2,1-6H3,(H,23,25)