methyl 7-[[4-(2,5-dimethylphenyl)sulfonyloxyphenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[4-(2,5-dimethylphenyl)sulfonyloxyphenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[4-(2,5-dimethylphenyl)sulfonyloxybenzoyl]amino]heptanoate CAS Name: 7-[[[4-(2,5-dimethylphenyl)sulfonyloxyphenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[4-(2,5-dimethylphenyl)sulfonyloxybenzoyl]amino]heptanoate Traditional Name: 7-[[4-(2,5-dimethylphenyl)sulfonyloxybenzoyl]amino]enanthic acid methyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C23H29NO6S/c1-17-9-10-18(2)21(16-17)31(27,28)30-20-13-11-19(12-14-20)23(26)24-15-7-5-4-6-8-22(25)29-3/h9-14,16H,4-8,15H2,1-3H3,(H,24,26)