ethyl 1-[5-chloranyl-2-(octanoylamino)phenyl]sulfonylpyrrole-2-carboxylate

Systemtic Name: ethyl 1-[5-chloranyl-2-(octanoylamino)phenyl]sulfonylpyrrole-2-carboxylate Openeye Name: ethyl 1-[5-chloro-2-(octanoylamino)phenyl]sulfonylpyrrole-2-carboxylate CAS Name: 1-[5-chloro-2-(1-oxooctylamino)phenyl]sulfonyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-2-(octanoylamino)phenyl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-[2-(caprylylamino)-5-chloro-phenyl]sulfonylpyrrole-2-carboxylic acid ethyl ester Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC

InChI

InChI=1S/C21H27ClN2O5S/c1-3-5-6-7-8-11-20(25)23-17-13-12-16(22)15-19(17)30(27,28)24-14-9-10-18(24)21(26)29-4-2/h9-10,12-15H,3-8,11H2,1-2H3,(H,23,25)