4-[2-(2,6-dimethylphenyl)ethanoyl-ethanoyl-amino]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[2-(2,6-dimethylphenyl)ethanoyl-ethanoyl-amino]butyl 4-methylbenzenesulfonate Openeye Name: 4-[acetyl-[2-(2,6-dimethylphenyl)acetyl]amino]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[acetyl-[2-(2,6-dimethylphenyl)-1-oxoethyl]amino]butyl ester IUPAC Name: 4-[acetyl-[2-(2,6-dimethylphenyl)acetyl]amino]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[acetyl-[2-(2,6-dimethylphenyl)acetyl]amino]butyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN(C(=O)C)C(=O)CC2=C(C=CC=C2C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN(C(=O)C)C(=O)CC2=C(C=CC=C2C)C

InChI

InChI=1S/C23H29NO5S/c1-17-10-12-21(13-11-17)30(27,28)29-15-6-5-14-24(20(4)25)23(26)16-22-18(2)8-7-9-19(22)3/h7-13H,5-6,14-16H2,1-4H3