(4-methylphenyl)methyl 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: (4-methylphenyl)methyl 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: p-tolylmethyl 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butyric acid (4-methylbenzyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C21H25NO5S/c1-16-6-8-18(9-7-16)15-27-21(24)5-4-14-22(3)28(25,26)20-12-10-19(11-13-20)17(2)23/h6-13H,4-5,14-15H2,1-3H3