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

Systemtic Name: methyl 4-chloranyl-2-[(4-ethoxy-4-oxidanylidene-butyl)-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: methyl 4-chloro-2-[(4-ethoxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]benzoate CAS Name: 4-chloro-2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-chloro-2-[(4-ethoxy-4-keto-butyl)-tosyl-amino]benzoic acid methyl ester Formula: C21H24ClNO6S MolecularWeight: 453.93636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO6S/c1-4-29-20(24)6-5-13-23(30(26,27)17-10-7-15(2)8-11-17)19-14-16(22)9-12-18(19)21(25)28-3/h7-12,14H,4-6,13H2,1-3H3