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

Systemtic Name: methyl 4,5-dimethoxy-2-[4-[methyl(phenylsulfonyl)amino]butanoylamino]benzoate Openeye Name: methyl 2-[4-[benzenesulfonyl(methyl)amino]butanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[4-[benzenesulfonyl(methyl)amino]-1-oxobutyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[4-[benzenesulfonyl(methyl)amino]butanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[4-[besyl(methyl)amino]butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN(CCCC(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O7S/c1-23(31(26,27)15-9-6-5-7-10-15)12-8-11-20(24)22-17-14-19(29-3)18(28-2)13-16(17)21(25)30-4/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,22,24)