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

Systemtic Name: methyl 2-[(4-ethoxy-4-oxidanylidene-butyl)-(2-methylphenyl)sulfonyl-amino]benzoate Openeye Name: methyl 2-[(4-ethoxy-4-oxo-butyl)-(o-tolylsulfonyl)amino]benzoate CAS Name: 2-[(4-ethoxy-4-oxobutyl)-(2-methylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxy-4-oxobutyl)-(2-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-ethoxy-4-keto-butyl)-(o-tolylsulfonyl)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=CC=C2C

Isomeric SMILES

CCOC(=O)CCCN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=CC=C2C

InChI

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