methyl 2-[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[4-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C23H28N2O8S/c1-15(26)16-8-10-17(11-9-16)34(29,30)25(2)12-6-7-22(27)24-19-14-21(32-4)20(31-3)13-18(19)23(28)33-5/h8-11,13-14H,6-7,12H2,1-5H3,(H,24,27)