methyl 2-[(4-ethoxy-4-oxidanylidene-butyl)-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: methyl 2-[(4-ethoxy-4-oxidanylidene-butyl)-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: methyl 2-[(4-ethoxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]benzoate CAS Name: 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-ethoxy-4-keto-butyl)-tosyl-amino]benzoic acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCCN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO6S/c1-4-28-20(23)10-7-15-22(19-9-6-5-8-18(19)21(24)27-3)29(25,26)17-13-11-16(2)12-14-17/h5-6,8-9,11-14H,4,7,10,15H2,1-3H3