ethyl 4-[butyl-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-amino]benzoate

Systemtic Name: ethyl 4-[butyl-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[butyl-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-amino]benzoate CAS Name: 4-[butyl-(4-chloro-2,5-dimethylphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[butyl-(4-chloro-2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[butyl-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-amino]benzoic acid ethyl ester Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=C(C=C(C(=C2)C)Cl)C

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=C(C=C(C(=C2)C)Cl)C

InChI

InChI=1S/C21H26ClNO4S/c1-5-7-12-23(18-10-8-17(9-11-18)21(24)27-6-2)28(25,26)20-14-15(3)19(22)13-16(20)4/h8-11,13-14H,5-7,12H2,1-4H3